Compound Identification
SMILES
CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)C1=CC2=C(OCCO2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=HLXNRVLOVLWCHZ-UHFFFAOYSA-N
Formula
C19H18N2O7
Mass
386.36
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 Benzo-1,4-dioxanes Nitrobenzenes Nitroaromatic compounds Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Para dioxins Amino acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Aminobenzoic acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - Nitrobenzene - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - Alkyl aryl ether - Para-dioxin - Carboxylic acid ester - Tertiary amine - Amino acid or derivatives - C-nitro compound - Ketone - Organic nitro compound - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Amine - Organonitrogen compound - Aromatic heteropolycyclic 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