Compound Identification
SMILES
CC1=CC(C(=O)COC(=O)C2=CC=C(C=C2)[N+]([O-])=O)=C(C)N1CC1CCCO1
InChIKey
InChIKey=NNBQMZJIIBZYRP-UHFFFAOYSA-N
Formula
C20H22N2O6
Mass
386.404
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 Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Substituted pyrroles Vinylogous amides Oxolanes Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Oxacyclic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Aryl ketone - Substituted pyrrole - Heteroaromatic compound - Oxolane - Vinylogous amide - Pyrrole - Carboxylic acid ester - Ketone - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Aldehyde - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Organic oxide - Organic zwitterion - Organic oxygen compound - Hydrocarbon derivative - 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