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5-amino-2-chlorobenzoic Acid 1-allyloxycarbonyl-1-methyl-ethyl Ester

UUID e1823960-2400-4d67-9505-18811f2da305
Deprecated yes
Replaced By 0c81b56b-ebe7-40b0-9021-15cdf3b85a8e
Flow Object IDfo-153e293473267ae5
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 174489-43-1
EC Numbers 696-318-8
prefLabel
Language Value Provenance
en 5-amino-2-chlorobenzoic Acid 1-allyloxycarbonyl-1-methyl-ethyl Ester
altLabel
Language Value Provenance
en 1,1-Dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl 5-amino-2-chlorobenzoate
en 1-(Allyloxy)-2-methyl-1-oxopropan-2-yl 5-amino-2-chlorobenzoate
en Benzoic acid, 5-amino-2-chloro-, 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester
en Benzoic acid, 5-amino-2-chloro-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester
References
Shared Properties
Predicate Value
InChIKey RGPKEFLHWNRAPS-UHFFFAOYSA-N
InChI InChI=1S/C14H16ClNO4/c1-4-7-19-13(18)14(2,3)20-12(17)10-8-9(16)5-6-11(10)15/h4-6,8H,1,7,16H2,2-3H3
IUPAC name (2-allyloxy-1,1-dimethyl-2-oxo-ethyl) 5-amino-2-chloro-benzoate, (2-methyl-1-oxidanylidene-1-prop-2-enoxy-propan-2-yl) 5-azanyl-2-chloranyl-benzoate, (2-methyl-1-oxo-1-prop-2-enoxypropan-2-yl) 5-amino-2-chlorobenzoate, 5-amino-2-chloro-benzoic acid (2-allyloxy-2-keto-1,1-dimethyl-ethyl) ester, 5-amino-2-chlorobenzoic acid (2-methyl-1-oxo-1-prop-2-enoxypropan-2-yl) ester
Molecular formula C14H16ClNO4
SMILES CC(C)(C(=O)OCC=C)OC(=O)C1=C(C=CC(=C1)N)Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 e1823960-2400-4d67-9505-18811f2da305 5-amino-2-chlorobenzoic acid 1-allyloxycarbonyl-1-methyl-ethyl ester

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=5-amino-2-chlorobenzoicacid1-allyloxycarbonyl-1-methyl-ethylester||dimension=Environmental > media=Water > water_body=Unknown; cas=174489-43-1; added Common Chemistry CAS names as altLabel: 1,1-Dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl 5-amino-2-chlorobenzoate, 1-(Allyloxy)-2-methyl-1-oxopropan-2-yl 5-amino-2-chlorobenzoate, Benzoic acid, 5-amino-2-chloro-, 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester, Benzoic acid, 5-amino-2-chloro-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester; object_uuid=fo-153e293473267ae5
cas_match_labels 1 consensus_match group_key=5-amino-2-chlorobenzoicacid1-allyloxycarbonyl-1-methyl-ethylester||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'174489-43-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-153e293473267ae5: {'174489-43-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,1-Dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl 5-amino-2-chlorobenzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:174489-43-1', 'https://commonchemistry.cas.org/detail?cas_rn=174489-43-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-(Allyloxy)-2-methyl-1-oxopropan-2-yl 5-amino-2-chlorobenzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:174489-43-1', 'https://commonchemistry.cas.org/detail?cas_rn=174489-43-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, 5-amino-2-chloro-, 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:174489-43-1', 'https://commonchemistry.cas.org/detail?cas_rn=174489-43-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, 5-amino-2-chloro-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:174489-43-1', 'https://commonchemistry.cas.org/detail?cas_rn=174489-43-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=5-amino-2-chlorobenzoicacid1-allyloxycarbonyl-1-methyl-ethylester||dimension=Environmental > media=Water > water_body=Unknown; cas=174489-43-1; added Common Chemistry CAS names as altLabel: 1,1-Dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl 5-amino-2-chlorobenzoate, 1-(Allyloxy)-2-methyl-1-oxopropan-2-yl 5-amino-2-chlorobenzoate, Benzoic acid, 5-amino-2-chloro-, 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester, Benzoic acid, 5-amino-2-chloro-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester; object_uuid=fo-153e293473267ae5
cas_match_labels None {'174489-43-1': 'exactMatch'} group_key=5-amino-2-chlorobenzoicacid1-allyloxycarbonyl-1-methyl-ethylester||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'174489-43-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-153e293473267ae5: {'174489-43-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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