Compound Identification
SMILES
CN(C)C(=N/OC(=O)C1=CC=C(C=C1)[N+]([O-])=O)\C1=NON=C1N
InChIKey
InChIKey=NRPGDUOHSFSSCM-WJDWOHSUSA-N
Formula
C12H12N6O5
Mass
320.265
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
Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Imidolactams Furazans Heteroaromatic compounds Amino acids and derivatives Organic oxoazanium compounds Oxacyclic compounds Amidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organooxygen compounds Primary amines Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Nitrobenzene - Nitroaromatic compound - Benzoyl - Imidolactam - Azole - Furazan - Heteroaromatic compound - Oxadiazole - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Amidine - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic salt - Primary amine - Organic zwitterion - Amine - Hydrocarbon derivative - Organic nitrogen compound - 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