Compound Identification
SMILES
CNC1=C(C=C(C=C1)C(=O)NC1=NC(=C(C)S1)C1=CC=C(OC)C=C1)[N+]([O-])=O
InChIKey
InChIKey=AFPKJFXLHJIHLI-UHFFFAOYSA-N
Formula
C19H18N4O4S
Mass
398.44
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
Aminobenzoic acids and derivatives
Alternative Parents
Nitrobenzenes Benzamides 2,4,5-trisubstituted thiazoles Phenylalkylamines Phenoxy compounds Aniline and substituted anilines Anisoles Nitroaromatic compounds Methoxybenzenes Benzoyl derivatives Secondary alkylarylamines Alkyl aryl ethers Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic oxides Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Nitrobenzene - Benzamide - 2,4,5-trisubstituted 1,3-thiazole - Anisole - Methoxybenzene - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Phenol ether - Nitroaromatic compound - Phenoxy compound - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Heteroaromatic compound - Azole - Thiazole - Amino acid or derivatives - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminobenzoic acids and derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.
External Descriptors
Not available