Compound Identification
SMILES
COCCNC1=C(C=C(C=C1)C(=O)OCC1=C(C=CO1)C(=O)OC)[N+]([O-])=O
InChIKey
InChIKey=IPRCHPHYXLPQLB-UHFFFAOYSA-N
Formula
C17H18N2O8
Mass
378.337
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
Aminobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Furoic acid esters Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Furan-3-carboxylic acid esters Nitroaromatic compounds Secondary alkylarylamines Methyl esters Heteroaromatic compounds Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkyl ethers Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Furoic acid ester - Nitrobenzene - Furoic acid or derivatives - Furan-3-carboxylic acid ester - Furan-3-carboxylic acid or derivatives - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Furan - Heteroaromatic compound - Methyl ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Amino acid or derivatives - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Oxacycle - Secondary amine - Amine - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic 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