Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C(=O)O[C@H]1O[C@@H](COCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@@H]1OCC1=CC=CC=C1
InChIKey
InChIKey=IJTANGJQVDVKFH-NQKWQRPXSA-N
Formula
C41H39NO9
Mass
689.761
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
Hexoses Benzoic acid esters Benzylethers Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Oxanes Carboxylic acid esters Acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hexose monosaccharide - Nitrobenzoate - Benzoate ester - Benzylether - Nitrobenzene - Nitroaromatic compound - Benzoyl - Monosaccharide - Oxane - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - 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