Compound Identification
SMILES
CC(C)(C)OC(=O)N[C@H](CC[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)COC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=LJEXUHGFQASCIJ-OXILMKKSSA-N
Formula
C50H56N2O11
Mass
861.001
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 C-glycosyl compounds Benzoic acid esters Benzylethers Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Oxanes Carbamate esters Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hexose monosaccharide - Nitrobenzoate - C-glycosyl compound - Glycosyl compound - Benzoate ester - Benzylether - Nitrobenzene - Nitroaromatic compound - Benzoyl - Monosaccharide - Oxane - Carbamic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Dialkyl ether - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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