Compound Identification
SMILES
C[C@H](OC(=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O)C1=NC2=C(C(C)=C(C)S2)C(=O)N1
InChIKey
InChIKey=UYDBQIMATFVQLS-QMMMGPOBSA-N
Formula
C17H14ClN3O5S
Mass
407.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
4-halobenzoic acids and derivatives Benzoic acid esters Thienopyrimidines Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Pyrimidones Chlorobenzenes Aryl chlorides Thiophenes Heteroaromatic compounds Carboxylic acid esters Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Nitrobenzene - Thienopyrimidine - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Organic nitro compound - Lactam - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic zwitterion - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen 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