Compound Identification
SMILES
Cl.CCN(CC)CCOC(=O)C1=C(C=C(NO)C=C1)[N+]([O-])=O
InChIKey
InChIKey=YKIJXQNSAGWXSD-UHFFFAOYSA-N
Formula
C13H20ClN3O5
Mass
333.77
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
Benzoic acid esters Nitrobenzenes 1-hydroxylamino, 2-unsubstituted benzenoids Arylhydroxamates Benzoyl derivatives N-phenylhydroxylamines Nitroaromatic compounds Amino acids and derivatives Trialkylamines Carboxylic acid esters N-organohydroxylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrochlorides Hydrocarbon derivatives Organic oxides Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - N-phenylhydroxylamine - 1-hydroxylamino, 2-unsubstituted benzenoid - Nitroaromatic compound - Benzoyl - Arylhydroxamate - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - N-organohydroxylamine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organic nitrogen compound - Organic salt - Hydrochloride - Organic oxygen compound - Aromatic homomonocyclic 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