Compound Identification
SMILES
CN(N=O)C(=O)NC1O[C@H](COC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C2OC(C)(C)OC12
InChIKey
InChIKey=IUISBWYEEASLMJ-NTXGFPLRSA-N
Formula
C17H20N4O9
Mass
424.366
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
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
Benzoic acid esters Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds N-methylnitrosoureas Ketals Monosaccharides Tetrahydrofurans Semicarbazides 1,3-dioxolanes Nitrosamides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Benzoyl - Nitroaromatic compound - N-methylnitrosourea - Ketal - Monosaccharide - Nitrosourea - Meta-dioxolane - Semicarbazide - Tetrahydrofuran - Nitrosamide - Organic nitro compound - Organic n-nitroso compound - Carbonic acid derivative - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Acetal - Organoheterocyclic compound - Organic oxoazanium - Organic nitroso compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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