N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-ethyl-I(2)-alanine cyanomethyl ester

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N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-ethyl-I(2)-alanine cyanomethyl ester

UUID ff7b2b23-d08b-49ab-8daf-659d02ff10ba

Deprecated yes

Replaced By 1d10c8f7-1982-401b-ae01-65c3c1bf283b

Flow Object ID fo-1657577bf453fd1f

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 850546-74-6

EC Numbers 473-120-8

prefLabel

Language	Value	Provenance
`en`	`N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-ethyl-I(2)-alanine cyanomethyl ester`

altLabel ⓘ

Language	Value	Provenance
`en`	`<em>N</em>-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-<em>N</em>-ethyl-β-alanine cyanomethyl ester`
`en`	`β-Alanine, <em>N</em>-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-<em>N</em>-ethyl-, cyanomethyl ester`
`en`	`β-Alanine, <em>N</em>-[5-(acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-<em>N</em>-ethyl-, cyanomethyl ester`
`en`	`Disperse Blue 20302/2078`

References

Shared Properties

Predicate	Value
InChIKey	`GOAXCKDKIAWXNK-UHFFFAOYSA-N`
InChI	`InChI=1S/C22H22BrN7O8/c1-4-28(7-5-21(32)38-8-6-24)18-11-16(25-13(2)31)17(12-20(18)37-3)26-27-22-15(23)9-14(29(33)34)10-19(22)30(35)36/h9-12H,4-5,7-8H2,1-3H3,(H,25,31)`
IUPAC name	3-[5-acetamido-4-(2-bromo-4,6-dinitro-phenyl)azo-N-ethyl-2-methoxy-anilino]propionic acid cyanomethyl ester, 3-[5-acetamido-4-(2-bromo-4,6-dinitrophenyl)azo-N-ethyl-2-methoxyanilino]propanoic acid cyanomethyl ester, cyanomethyl 3-[5-acetamido-4-(2-bromo-4,6-dinitro-phenyl)azo-N-ethyl-2-methoxy-anilino]propanoate, cyanomethyl 3-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-ethyl-2-methoxyanilino]propanoate, cyanomethyl 3-[[5-acetamido-4-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-2-methoxy-phenyl]-ethyl-amino]propanoate
Molecular formula	`C22H22BrN7O8`
SMILES	`CCN(CCC(=O)OCC#N)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`ff7b2b23-d08b-49ab-8daf-659d02ff10ba`	disperse blue 20302/2078

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=disperseblue20302/2078\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=850546-74-6; added Common Chemistry CAS names as altLabel: <em>N</em>-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-<em>N</em>-ethyl-β-alanine cyanomethyl ester, β-Alanine, <em>N</em>-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-<em>N</em>-ethyl-, cyanomethyl ester, β-Alanine, <em>N</em>-[5-(acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-<em>N</em>-ethyl-, cyanomethyl ester; object_uuid=fo-1657577bf453fd1f
`cas_match_labels`	1	`—`	consensus_match	group_key=disperseblue20302/2078\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'850546-74-6': []}; assigned CAS labels from group consensus; object_uuid=fo-1657577bf453fd1f: {'850546-74-6': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '<em>N</em>-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-<em>N</em>-ethyl-β-alanine cyanomethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:850546-74-6', 'https://commonchemistry.cas.org/detail?cas_rn=850546-74-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'β-Alanine, <em>N</em>-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-<em>N</em>-ethyl-, cyanomethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:850546-74-6', 'https://commonchemistry.cas.org/detail?cas_rn=850546-74-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'β-Alanine, <em>N</em>-[5-(acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-<em>N</em>-ethyl-, cyanomethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:850546-74-6', 'https://commonchemistry.cas.org/detail?cas_rn=850546-74-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=disperseblue20302/2078\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=850546-74-6; added Common Chemistry CAS names as altLabel: <em>N</em>-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-<em>N</em>-ethyl-β-alanine cyanomethyl ester, β-Alanine, <em>N</em>-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-<em>N</em>-ethyl-, cyanomethyl ester, β-Alanine, <em>N</em>-[5-(acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-<em>N</em>-ethyl-, cyanomethyl ester; object_uuid=fo-1657577bf453fd1f
`cas_match_labels`	`None`	`{'850546-74-6': 'exactMatch'}`	group_key=disperseblue20302/2078\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'850546-74-6': []}; assigned CAS labels from group consensus; object_uuid=fo-1657577bf453fd1f: {'850546-74-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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