Compound Identification
SMILES
COC1C=C(C)C(=O)CC(C)(C)C1OC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=BIURFXGTEBGLCJ-UHFFFAOYSA-N
Formula
C18H21NO6
Mass
347.367
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
Aromatic monoterpenoids Benzoic acid esters Monocyclic monoterpenoids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Carboxylic acid esters Cyclic ketones Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Aromatic monoterpenoid - Benzoate ester - Monocyclic monoterpenoid - Monoterpenoid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Carboxylic acid ester - Organic nitro compound - Ketone - C-nitro compound - Cyclic ketone - Carboxylic acid derivative - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic zwitterion - Organooxygen compound - Hydrocarbon derivative - Organonitrogen 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