Compound Identification
SMILES
CC1(C)O[C@H]2[C@H](Br)O[C@H](COC(=O)C3=CC=C(C=C3)[N+]([O-])=O)[C@H]2O1
InChIKey
InChIKey=OXMCAVLUZFMZOB-FDYHWXHSSA-N
Formula
C15H16BrNO7
Mass
402.197
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
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 Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Ketals Monosaccharides 1,3-dioxolanes Oxolanes Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organic oxoazanium compounds Organobromides Hydrocarbon derivatives Alkyl bromides Organopnictogen compounds Organic salts Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Ketal - Monosaccharide - Meta-dioxolane - Oxolane - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic salt - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Alkyl bromide - Alkyl halide - Organic cation - 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