Compound Identification
SMILES
CCN(C(=O)COC(=O)C1=CC(=C(C=C1)N1C=CN=C1)[N+]([O-])=O)C1=CC=CC2=CC=CC=C12
InChIKey
InChIKey=MKHRSRWWUCAENS-UHFFFAOYSA-N
Formula
C24H20N4O5
Mass
444.447
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
Phenylimidazoles Benzoic acid esters Naphthalenes Nitrobenzenes Benzoyl derivatives Imidazolyl carboxylic acids and derivatives Nitroaromatic compounds N-substituted imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - 1-phenylimidazole - Benzoate ester - Naphthalene - Nitrobenzene - Nitroaromatic compound - Benzoyl - Imidazolyl carboxylic acid derivative - N-substituted imidazole - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Imidazole - C-nitro compound - Organic nitro compound - Carboxylic acid ester - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - 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