Compound Identification
SMILES
CCOC1=C(C=C(C(O)=O)C(NC=CC#N)=C1)[N+]([O-])=O
InChIKey
InChIKey=YWPWPHMZZABGOB-UHFFFAOYSA-N
Formula
C12H11N3O5
Mass
277.236
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
Nitrophenyl ethers Aminobenzoic acids Aminophenyl ethers Benzoic acids Phenoxy compounds Aniline and substituted anilines Nitroaromatic compounds Benzoyl derivatives Secondary alkylarylamines Alkyl aryl ethers Vinylogous amides Amino acids Propargyl-type 1,3-dipolar organic compounds Allylamines Organic oxoazanium compounds Nitriles Enamines Carboxylic acids Organic salts Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Nitrophenyl ether - Aminobenzoic acid - Aminobenzoic acid or derivatives - Aminophenyl ether - Benzoic acid - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Benzoyl - Aniline or substituted anilines - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Vinylogous amide - C-nitro compound - Organic nitro compound - Amino acid - Amino acid or derivatives - Allylamine - Carboxylic acid derivative - Carboxylic acid - Enamine - Ether - Carbonitrile - Nitrile - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Cyanide - 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