Compound Identification
SMILES
CC1=CC=C(C=C1)C1=NC(CCNC2=C(C=C(C=C2)[N+]([O-])=O)C(O)=O)=CS1
InChIKey
InChIKey=AMASNNBSYICKAN-UHFFFAOYSA-N
Formula
C19H17N3O4S
Mass
383.42
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
Aminobenzoic acids Benzoic acids Nitrobenzenes Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Toluenes Secondary alkylarylamines 2,4-disubstituted thiazoles Vinylogous amides Heteroaromatic compounds Amino acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carboxylic acids Organooxygen compounds Organic zwitterions Organic oxides Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - 2,4-disubstituted 1,3-thiazole - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - Azole - Heteroaromatic compound - Thiazole - Vinylogous amide - Amino acid or derivatives - Organic nitro compound - Amino acid - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organic salt - Aromatic heteromonocyclic 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