Compound Identification
SMILES
COCC1=CC(C)=NC(NN=CC2=CC=C(O2)C2=CC(Cl)=C(C=C2)C(O)=O)=C1C#N
InChIKey
InChIKey=QQCAVQJSVOHHOY-UHFFFAOYSA-N
Formula
C21H17ClN4O4
Mass
424.84
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
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Subclass
Benzoic acids and derivatives
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Level 5
Halobenzoic acids and derivatives
- Level 6 Halobenzoic acids
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Level 5
Halobenzoic acids and derivatives
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
Halobenzoic acids
Alternative Parents
2-halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds 3-pyridinecarbonitriles Benzoyl derivatives Methylpyridines Chlorobenzenes Aryl chlorides Imidolactams Vinylogous halides Furans Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Hydrazones Dialkyl ethers Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - 3-pyridinecarbonitrile - Chlorobenzene - Methylpyridine - Halobenzene - Aryl halide - Imidolactam - Pyridine - Aryl chloride - Furan - Vinylogous halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Hydrazone - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Cyanide - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
External Descriptors
Not available