Compound Identification
SMILES
OB(O)C1=CC(=CC(=C1)[N+]([O-])=O)C(=O)OCC1=CC=CC=C1COC(=O)C1=CC(=CC(=C1)B(O)O)[N+]([O-])=O
InChIKey
InChIKey=YNGFYVBGKRZQPV-UHFFFAOYSA-N
Formula
C22H18B2N2O12
Mass
524.01
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 Benzyloxycarbonyls Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Boronic acids Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives Organic oxides Organometalloid compounds Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Benzoyl - Boronic acid derivative - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Boronic acid - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - 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