Compound Identification
SMILES
CN1C2=CC=CC=C2SC11OC2=C(C=C(C=C2C=C1C)[N+]([O-])=O)C(O)=O
InChIKey
InChIKey=CTNJATJVPHREPP-UHFFFAOYSA-N
Formula
C18H14N2O5S
Mass
370.38
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
1-benzopyrans Benzothiazoles Aryl thioethers Dialkylarylamines Nitroaromatic compounds Thiazoles Monothioacetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Benzopyran - 1-benzopyran - Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Nitroaromatic compound - Dialkylarylamine - Monothioacetal - Thiazole - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic salt - Amine - 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