Compound Identification
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=QZBPLLHDMGTUOV-UHFFFAOYSA-N
Formula
C19H19F3N2O4
Mass
396.366
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
Trifluoromethylbenzenes Amphetamines and derivatives Benzoic acid esters Phenylpropanes Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Aralkylamines Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives Alkyl fluorides Organopnictogen compounds Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Amphetamine or derivatives - Benzoate ester - Trifluoromethylbenzene - Nitrobenzene - Phenylpropane - Nitroaromatic compound - Benzoyl - Aralkylamine - Amino acid or derivatives - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic nitrogen compound - Amine - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic oxygen compound - Organohalogen compound - Organopnictogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - 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