Compound Identification
SMILES
OC(=O)C(O)=O.COC(=O)C1=CC(=C(OCCCN2CCN(CC2)C2=CC(=O)N(C)C(=O)N2C)C=C1)[N+]([O-])=O
InChIKey
InChIKey=OPAILPKFEPMUFH-UHFFFAOYSA-N
Formula
C23H29N5O11
Mass
551.509
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
N-arylpiperazines Nitrophenyl ethers Benzoic acid esters Dialkylarylamines Nitroaromatic compounds Benzoyl derivatives Phenol ethers Phenoxy compounds Aminopyrimidines and derivatives N-alkylpiperazines Alkyl aryl ethers Pyrimidones Dicarboxylic acids and derivatives Hydropyrimidines Heteroaromatic compounds Vinylogous amides Methyl esters Trialkylamines Ureas Amino acids and derivatives Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carboxylic acids Organic oxides Carbonyl compounds Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Nitrobenzoate - N-arylpiperazine - Nitrophenyl ether - Benzoate ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Pyrimidone - N-alkylpiperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Hydropyrimidine - Piperazine - Pyrimidine - Methyl ester - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Amino acid or derivatives - Lactam - C-nitro compound - Urea - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Carboxylic acid - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Carbonyl group - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Organooxygen compound - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic 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