Compound Identification
SMILES
OC[C@@]1(O[C@H]2O[C@H](COC(=O)C3=CC=C(C=C3)[N+]([O-])=O)[C@@H](OCC3=CC=CC=C3)[C@H](OCC3=CC=CC=C3)[C@H]2OCC2=CC=CC=C2)O[C@H](COC(=O)C2=CC=C(C=C2)[N+]([O-])=O)[C@@H](OCC2=CC=CC=C2)[C@@H]1OCC1=CC=CC=C1
InChIKey
InChIKey=IKTDCNXALGFRMS-JVUUBIEJSA-N
Formula
C61H58N2O17
Mass
1091.132
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
C-glycosyl compounds Disaccharides O-glycosyl compounds Benzoic acid esters Benzylethers Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Ketals Oxanes Dicarboxylic acids and derivatives Oxolanes Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Primary alcohols Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Glycosyl compound - Disaccharide - C-glycosyl compound - O-glycosyl compound - Benzoate ester - Benzylether - Nitrobenzene - Nitroaromatic compound - Benzoyl - Ketal - Dicarboxylic acid or derivatives - Oxane - Oxolane - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Dialkyl ether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Acetal - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - 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