Compound Identification
SMILES
COC1=CC=C(C=C1)C1SC2=CC=CC=C2NC(=O)C1OC(=O)C1=C(Cl)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=BJIKEMIPOWYRBO-UHFFFAOYSA-N
Formula
C23H17ClN2O6S
Mass
484.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted 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
Not available
Direct Parent
Nitrobenzoic acids and derivatives
Alternative Parents
Benzothiazepines 2-halobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Phenoxy compounds Anisoles Benzoyl derivatives Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Aryl chlorides Vinylogous halides Secondary carboxylic acid amides Carboxylic acid esters Lactams Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Benzothiazepine - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Phenoxy compound - Benzoyl - Phenol ether - Aryl thioether - Nitroaromatic compound - Anisole - Methoxybenzene - Alkylarylthioether - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl halide - Aryl chloride - Vinylogous halide - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Carboxamide group - Lactam - Secondary carboxylic acid amide - Organic oxoazanium - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available