Compound Identification
SMILES
COC(=O)C1=C(C=CC=C1[N+]([O-])=O)C(=O)N1CCC2(C1)CCN(CC2)C(=O)CC1CC2=CC=CC=C2C1
InChIKey
InChIKey=NJAHECILSFWEBI-UHFFFAOYSA-N
Formula
C28H31N3O6
Mass
505.571
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
Azaspirodecane derivatives Benzoic acid esters Benzamides Indanes Nitrobenzenes N-acylpiperidines Benzoyl derivatives Nitroaromatic compounds N-acylpyrrolidines Tertiary carboxylic acid amides Methyl esters Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carbonyl compounds Organonitrogen compounds Organic salts Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Azaspirodecane - Benzoate ester - Benzamide - Nitrobenzene - N-acyl-piperidine - Indane - Nitroaromatic compound - Benzoyl - N-acylpyrrolidine - Piperidine - Pyrrolidine - Methyl ester - Tertiary carboxylic acid amide - C-nitro compound - Carboxamide group - Organic nitro compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen 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