Compound Identification
SMILES
CN(C)CCOC(OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)(C1=CC=CC=C1)C(C)(C)O
InChIKey
InChIKey=YWOBPUMZMRYMEB-UHFFFAOYSA-N
Formula
C21H25N3O8
Mass
447.444
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
Benzoic acid esters Benzyloxycarbonyls Benzylethers Phenylpropanes Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Ketals Tertiary alcohols Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Benzyloxycarbonyl - Benzylether - Nitrobenzene - Phenylpropane - Nitroaromatic compound - Benzoyl - Ketal - Tertiary alcohol - Amino acid or derivatives - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Tertiary aliphatic amine - Tertiary amine - Acetal - Carboxylic acid derivative - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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