Compound Identification
SMILES
CO[C@@H]1O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@H]1O[C@@H]1O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=C(C=C2)[N+]([O-])=O)[C@H]1OCC1=CC=CC=C1
InChIKey
InChIKey=VMBARBKJKLGEBF-ZAFOZMFBSA-N
Formula
C46H43NO14
Mass
833.843
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
O-glycosyl compounds Benzoic acid esters Tricarboxylic acids and derivatives Benzylethers Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Monosaccharides Oxolanes Carboxylic acid esters Acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Glycosyl compound - O-glycosyl compound - Benzoate ester - Benzylether - Nitrobenzene - Tricarboxylic acid or derivatives - Nitroaromatic compound - Benzoyl - Monosaccharide - Oxolane - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic salt - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic 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