Compound Identification
SMILES
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)C1=CC=CC=C1[N+]([O-])=O)N2C
InChIKey
InChIKey=KYWOMKCANNCYEM-OADPDTJPSA-N
Formula
C17H20N2O6
Mass
348.355
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 Tropane alkaloids Piperidinecarboxylic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds N-alkylpyrrolidines Methyl esters Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Piperidinecarboxylic acid - Tropane alkaloid - Nitroaromatic compound - Benzoyl - Piperidine - N-alkylpyrrolidine - Pyrrolidine - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organonitrogen compound - Carbonyl group - Organic salt - Organooxygen 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