Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C(=O)O\N=C1/CCCC2=C1SC1=C2C(=O)N2CCCCCC2=N1
InChIKey
InChIKey=AHBUSYPDHZWCNO-LFVJCYFKSA-N
Formula
C22H20N4O5S
Mass
452.49
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
Thienopyrimidines Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Pyrimidones Azepines Thiophenes Oxime esters Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Nitrobenzene - Thienopyrimidine - Nitroaromatic compound - Benzoyl - Azepine - Pyrimidone - Pyrimidine - Heteroaromatic compound - Oximester - Thiophene - Lactam - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic salt - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic cation - 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