Compound Identification
SMILES
COC(=O)C1=CC(=CC(=C1)C(=O)N1CCC2(C1)CCN(CC2)C(=O)NC1=CC=CC=C1OC)[N+]([O-])=O
InChIKey
InChIKey=RBLVPPMJYFYNCI-UHFFFAOYSA-N
Formula
C25H28N4O7
Mass
496.52
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
Azaspirodecane derivatives Benzoic acid esters N-phenylureas Benzamides Piperidinecarboxamides Methoxyanilines Nitrobenzenes Anisoles Benzoyl derivatives Phenoxy compounds Methoxybenzenes N-acylpyrrolidines Nitroaromatic compounds Alkyl aryl ethers Tertiary carboxylic acid amides Methyl esters Ureas Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic zwitterions Organic oxides Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - N-phenylurea - Azaspirodecane - Benzoate ester - Piperidinecarboxamide - 1-piperidinecarboxamide - Nitrobenzene - Benzamide - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Benzoyl - Anisole - Phenol ether - N-acylpyrrolidine - Alkyl aryl ether - Piperidine - Methyl ester - Pyrrolidine - Tertiary carboxylic acid amide - Organic nitro compound - C-nitro compound - Urea - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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