Compound Identification
SMILES
COC1=CC(COC(=O)C2=C(NCCO)C=CC(=C2)[N+]([O-])=O)=C(OC)C=C1
InChIKey
InChIKey=JBTDDRVAVBFSOX-UHFFFAOYSA-N
Formula
C18H20N2O7
Mass
376.365
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 Benzyloxycarbonyls Dimethoxybenzenes Nitrobenzenes Aniline and substituted anilines Anisoles Benzoyl derivatives Nitroaromatic compounds Phenylalkylamines Phenoxy compounds Secondary alkylarylamines Alkyl aryl ethers Vinylogous amides Carboxylic acid esters Amino acids and derivatives 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Primary alcohols Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Benzyloxycarbonyl - Dimethoxybenzene - P-dimethoxybenzene - Nitrobenzene - Anisole - Phenoxy compound - Benzoyl - Nitroaromatic compound - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Vinylogous amide - 1,2-aminoalcohol - Organic nitro compound - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic 1,3-dipolar compound - Alkanolamine - Carboxylic acid derivative - Ether - Organic oxoazanium - Primary alcohol - Organic zwitterion - Alcohol - Hydrocarbon derivative - Amine - Organic salt - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - 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