Compound Identification
SMILES
[O-][N+](=O)C1=CC(=CC(=C1)C(=O)ON=C1C2=CC=CC=C2C=CC2=CC=CC=C12)[N+]([O-])=O
InChIKey
InChIKey=ITXOZHOBMMSJGQ-UHFFFAOYSA-N
Formula
C22H13N3O6
Mass
415.361
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
Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Oxime esters Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Nitrobenzoate - Nitrobenzene - Benzoyl - Nitroaromatic compound - Oximester - Carboxylic acid salt - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic salt - Aromatic homopolycyclic 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