Compound Identification
SMILES
CCCCCC[C@@H](C)OC1=CC=C(C=C1)C1=CN=C(OC(=O)C2=CC(=C(O[C@H](C)CCCCCC)C=C2N)[N+]([O-])=O)C=N1
InChIKey
InChIKey=CPZRZWVBNIMWRI-DNQXCXABSA-N
Formula
C33H44N4O6
Mass
592.737
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
Nitrophenyl ethers Aminobenzoic acids and derivatives Benzoic acid esters Aminophenyl ethers Phenoxy compounds Aniline and substituted anilines Nitroaromatic compounds Benzoyl derivatives Alkyl aryl ethers Pyrazines Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Primary amines Organic salts Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Nitrophenyl ether - Aminobenzoic acid or derivatives - Benzoate ester - Aminophenyl ether - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Pyrazine - Heteroaromatic compound - Vinylogous amide - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Primary amine - Organic zwitterion - 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