Compound Identification
SMILES
COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCC(CC1)NC1=C(C=C(C=C1)C(O)=O)[N+]([O-])=O
InChIKey
InChIKey=ANDRFDFWUWTKKC-UHFFFAOYSA-N
Formula
C22H24N6O6
Mass
468.47
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
Quinazolinamines Aminobenzoic acids Benzoic acids Nitrobenzenes Aniline and substituted anilines Phenylalkylamines Anisoles Nitroaromatic compounds Dialkylarylamines Benzoyl derivatives Secondary alkylarylamines Alkyl aryl ethers Aminopiperidines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Amino acids Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Quinazolinamine - Aminobenzoic acid - Quinazoline - Aminobenzoic acid or derivatives - Nitrobenzene - Benzoic acid - Phenol ether - Nitroaromatic compound - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - Anisole - Alkyl aryl ether - Secondary aliphatic/aromatic amine - 4-aminopiperidine - Aminopyrimidine - Pyrimidine - Piperidine - Imidolactam - Heteroaromatic compound - Amino acid - C-nitro compound - Organic nitro compound - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic salt - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - 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