Compound Identification
SMILES
CN(C)CCC(OC(=O)C1=C(C=C(Cl)C=C1)[N+]([O-])=O)C1=CC=CC=C1
InChIKey
InChIKey=SNMBGJPOSZJSRS-UHFFFAOYSA-N
Formula
C18H19ClN2O4
Mass
362.81
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
4-halobenzoic acids and derivatives Benzoic acid esters Benzyloxycarbonyls Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aralkylamines Aryl chlorides Amino acids and derivatives Carboxylic acid esters Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organochlorides Hydrocarbon derivatives Organooxygen compounds Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Benzyloxycarbonyl - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - C-nitro compound - Organic nitro compound - Amino acid or derivatives - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Amine - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic cation - 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