Compound Identification
SMILES
OC(=O)C1=C(COOC2=CC=C(OC(=O)C3=C(C=CC=C3[N+]([O-])=O)C(O)=O)C3=CC=CC=C23)C(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=JNPCEWREIIZIBW-UHFFFAOYSA-N
Formula
C26H16N2O12
Mass
548.416
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
Benzoic acid esters Phenol esters Naphthalenes Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Hydrocarbon derivatives Organooxygen compounds Organic salts Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Naphthalene - Phenol ester - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Carboxylic acid - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homopolycyclic 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