Compound Identification
SMILES
CCOC1=CC=C(NC2=NC(=O)\C(S2)=C/C2=CC=C(O2)C2=CC(Cl)=C(C=C2)C([O-])=O)C=C1
InChIKey
InChIKey=NBAHIDZWUYIKIR-UDWIEESQSA-M
Formula
C23H16ClN2O5S
Mass
467.9
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 Benzoyl derivatives Phenoxy compounds Phenol ethers 1-carboxy-2-haloaromatic compounds Aniline and substituted anilines Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous halides Thiazolines Furans Heteroaromatic compounds Carboxylic acid salts N-acylimines Isothioureas Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Amines Organic oxides Organochlorides Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - Aniline or substituted anilines - Phenoxy compound - Phenol ether - 1-carboxy-2-haloaromatic compound - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Meta-thiazoline - Heteroaromatic compound - Furan - Vinylogous halide - Carboxylic acid salt - Isothiourea - N-acylimine - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic anion - 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