Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C(=O)O[C@H]1[C@H](OC(=N)C(Cl)(Cl)Cl)O[C@H](COCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@@H]1OCC1=CC=CC=C1
InChIKey
InChIKey=OKWSQQYAHYYMDR-XXFURDKYSA-N
Formula
C36H33Cl3N2O9
Mass
744.02
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 Benzylethers Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Oxanes Monosaccharides Carboxylic acid esters Imidoesters Acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Alkyl chlorides Organochlorides Organopnictogen compounds Organic salts Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - O-glycosyl compound - Glycosyl compound - Benzoate ester - Benzylether - Nitrobenzene - Nitroaromatic compound - Benzoyl - Monosaccharide - Oxane - C-nitro compound - Organic nitro compound - Imido ester - Carboxylic acid ester - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Carboximidic acid derivative - Acetal - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alkyl chloride - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alkyl halide - 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