Compound Identification
SMILES
CCOC(=O)C(O)=CC1=CC(Br)=C(OC)C=C1[N+]([O-])=O
InChIKey
InChIKey=OTMRUOWCZFAQJW-UHFFFAOYSA-N
Formula
C12H12BrNO6
Mass
346.133
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpyruvic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyruvic acid derivatives
Alternative Parents
Cinnamic acid esters Nitrophenyl ethers Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Bromobenzenes Alkyl aryl ethers Fatty acid esters Aryl bromides Enoate esters Monocarboxylic acids and derivatives Enols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid ester - Enol-phenylpyruvate - Cinnamic acid or derivatives - Nitrophenyl ether - Nitrobenzene - Methoxyaniline - Phenoxy compound - Phenol ether - Nitroaromatic compound - Anisole - Methoxybenzene - Bromobenzene - Halobenzene - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Aryl bromide - Aryl halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Enol - Organic oxoazanium - Ether - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.
External Descriptors
Not available