Compound Identification
SMILES
CC(C)(C)OC(=O)C1=CC(CNCCC2=CC=CC=C2)=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=ZFTSLXLCLAWXOF-UHFFFAOYSA-N
Formula
C20H24N2O4
Mass
356.422
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 acid esters Nitrobenzenes Phenethylamines Benzoyl derivatives Benzylamines Nitroaromatic compounds Phenylmethylamines Aralkylamines Amino acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Dialkylamines Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organooxygen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Phenethylamine - Nitroaromatic compound - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organic oxoazanium - Organic 1,3-dipolar compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic salt - Organic cation - Aromatic homomonocyclic 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