Compound Identification
SMILES
C\C(=N/NC1=NC2=CC=CC=C2S1)C1=CC=C(O1)C1=CC(C(O)=O)=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=YWSLINMGMAAMNG-SSDVNMTOSA-N
Formula
C20H14N4O5S
Mass
422.42
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
Benzoic acids Benzothiazoles Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Thiazoles Furans Heteroaromatic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids Hydrazones Organic oxoazanium compounds Organic salts Organooxygen compounds Hydrocarbon derivatives Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Benzoic acid - 1,3-benzothiazole - Nitrobenzene - Nitroaromatic compound - Benzoyl - Azole - Furan - Heteroaromatic compound - Thiazole - Organic nitro compound - C-nitro compound - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Carboxylic acid - Hydrazone - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic zwitterion - 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