Compound Identification
SMILES
CCOC(=O)C1=C(C)N=C2SC(=CC3=CC=C(O3)C3=CC(C(O)=O)=C(Cl)C=C3)C(=O)N2C1C1=CC(=C(C)C=C1)[N+]([O-])=O
InChIKey
InChIKey=WTGCSRNRJGTOKP-UHFFFAOYSA-N
Formula
C29H22ClN3O8S
Mass
608.02
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 Nitrotoluenes Nitrobenzenes 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Vinylogous halides Thiazoles Enoate esters Furans Heteroaromatic compounds Lactams Isothioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Oxacyclic compounds Organic oxides Organic salts Organic zwitterions Carbonyl compounds Organochlorides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - 1-carboxy-2-haloaromatic compound - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Azole - Heteroaromatic compound - Furan - Thiazole - Vinylogous halide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Isothiourea - Organic nitro compound - Lactam - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Carbonyl group - Organic salt - Organooxygen compound - Organic oxide - Organohalogen compound - Organopnictogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic 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