Compound Identification
SMILES
NC(=[NH+]OC(=O)C1=CC=CC=C1[N+]([O-])=O)C1=NON=C1N
InChIKey
InChIKey=CJNLQKDGVJCPLE-UHFFFAOYSA-O
Formula
C10H9N6O5
Mass
293.218
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 Primary aromatic amines Imidolactams Furazans Heteroaromatic compounds Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Carboximidamides Carboxamidines Oxacyclic compounds Organic oxoazanium compounds Organic salts Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Nitrobenzene - Nitroaromatic compound - Benzoyl - Imidolactam - Primary aromatic amine - Azole - Furazan - Heteroaromatic compound - Oxadiazole - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Carboximidamide - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Organic salt - Organic oxide - 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