Compound Identification
SMILES
C[C@@H](OC(=O)C1=CC(=C(N)C=C1)[N+]([O-])=O)C(=O)C1=CC2=C(CCC2)C=C1
InChIKey
InChIKey=LMJSGVIYAYSDKM-LLVKDONJSA-N
Formula
C19H18N2O5
Mass
354.362
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
Aminobenzoic acids and derivatives Benzoic acid esters Indanes Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Amino acids and derivatives Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Primary amines Organic salts Organic zwitterions
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Indane - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Aryl alkyl ketone - Aryl ketone - Amino acid or derivatives - Carboxylic acid ester - Ketone - C-nitro compound - Organic nitro compound - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Primary amine - Organic zwitterion - 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