Compound Identification
SMILES
COC(=O)C1=C(C=CC=C1[N+]([O-])=O)C(=O)N1CCC2(C1)CCN(CC2)C(=O)CN1C=NN=N1
InChIKey
InChIKey=CXWIFCYDTAABMX-UHFFFAOYSA-N
Formula
C20H23N7O6
Mass
457.447
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 Nitrobenzenes N-acylpiperidines Benzoyl derivatives Nitroaromatic compounds N-acylpyrrolidines Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Methyl esters Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carbonyl compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Azaspirodecane - Benzoate ester - Benzamide - N-acyl-piperidine - Nitrobenzene - Nitroaromatic compound - Benzoyl - N-acylpyrrolidine - Piperidine - Azole - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Methyl ester - Tetrazole - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organic salt - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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