Compound Identification
SMILES
OC(=O)C1=C(Cl)C=CC(NC=C(C#N)C2=NC3=CC=CC=C3O2)=C1
InChIKey
InChIKey=DZKWJBMVMFHJBW-UHFFFAOYSA-N
Formula
C17H10ClN3O3
Mass
339.74
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Aminobenzoic acids and derivatives
- Level 6 Aminobenzoic acids
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Level 5
Aminobenzoic acids and derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Aminobenzoic acids and derivatives
Direct Parent
Aminobenzoic acids
Alternative Parents
2-halobenzoic acids Halobenzoic acids Benzoic acids Benzoxazoles Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Aniline and substituted anilines Chlorobenzenes Aryl chlorides Heteroaromatic compounds Oxazoles Vinylogous halides Nitriles Enamines Azacyclic compounds Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminobenzoic acid - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoxazole - Benzoyl - Aniline or substituted anilines - 1-carboxy-2-haloaromatic compound - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Vinylogous halide - Azole - Oxazole - Heteroaromatic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Enamine - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
External Descriptors
Not available