Compound Identification
SMILES
CC1=C(NC2=NC(=O)\C(S2)=C\C2=CC=C(C=C2)[N+]([O-])=O)C=C(C=C1)C(O)=O
InChIKey
InChIKey=XJBSOKCNTZKSLN-NVNXTCNLSA-N
Formula
C18H13N3O5S
Mass
383.38
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
Aminobenzoic acids and derivatives
- Level 6 Aminobenzoic acids
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Level 5
Aminobenzoic acids and 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
Aminobenzoic acids and derivatives
Direct Parent
Aminobenzoic acids
Alternative Parents
Benzoic acids Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Toluenes Thiazolines Isothioureas N-acylimines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Organic oxoazanium compounds Amines Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzoic acid - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Toluene - Meta-thiazoline - Isothiourea - C-nitro compound - Organic nitro compound - N-acylimine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Amine - Organic zwitterion - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
External Descriptors
Not available