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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 dd32d930-5e45-4cdc-9871-f63a610514c7
Flow Object IDfo-1657577bf453fd1f
Source EF 3.1
Context Environmental → Water → 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 dd32d930-5e45-4cdc-9871-f63a610514c7 disperse blue 20302/2078

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 disperse blue 20302/2078 Emissions/Emissions to water/Emissions to water, unspecified kg exactMatch —

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

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

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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