Compound Identification
SMILES
CC(C)C(=O)C12C(=O)C(CC=C(C)C)=C(OC(=O)C3=CC(=CC(=C3)[N+]([O-])=O)[N+]([O-])=O)C(CC=C(C)C)(CC(CC=C(C)C)C1(C)CCC=C(C)C)C2=O
InChIKey
InChIKey=SRGPNSVEFBGETI-UHFFFAOYSA-N
Formula
C42H54N2O9
Mass
730.899
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
Bicyclic monoterpenoids Benzoic acid esters Aromatic monoterpenoids Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Cyclohexenones Enol esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Nitrobenzoate - Aromatic monoterpenoid - Benzoate ester - Bicyclic monoterpenoid - Monoterpenoid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Cyclohexenone - Enol ester - Organic nitro compound - Carboxylic acid ester - Ketone - C-nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organic salt - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic cation - 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