Compound Identification
SMILES
COC(=O)C1=C(C=CC=C1[N+]([O-])=O)C(=O)N1CCC2(C1)CCN(CC2)C(=O)C1=CC(OC)=NC(Cl)=C1
InChIKey
InChIKey=LQRGFVZTMPINAX-UHFFFAOYSA-N
Formula
C24H25ClN4O7
Mass
516.94
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 Pyridinecarboxylic acids and derivatives Benzamides N-acylpiperidines Nitrobenzenes Benzoyl derivatives N-acylpyrrolidines Nitroaromatic compounds Alkyl aryl ethers 2-halopyridines Aryl chlorides Methyl esters Heteroaromatic compounds Tertiary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organochlorides Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Azaspirodecane - Benzoate ester - Benzamide - Nitrobenzene - Pyridine carboxylic acid or derivatives - N-acyl-piperidine - Nitroaromatic compound - Benzoyl - N-acylpyrrolidine - Alkyl aryl ether - 2-halopyridine - Aryl chloride - Aryl halide - Piperidine - Pyridine - Heteroaromatic compound - Methyl ester - Pyrrolidine - Tertiary carboxylic acid amide - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic salt - 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