Compound Identification
SMILES
CC(=O)C1=C(N)CC(C2=C1COC2=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=YRPTUDKDOPPWBX-UHFFFAOYSA-N
Formula
C16H14N2O5
Mass
314.297
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Isobenzofurans Nitroaromatic compounds Butenolides Vinylogous amides Enoate esters Amino acids and derivatives Lactones Ketones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Enamines Monocarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isobenzofuran - Nitrobenzene - Nitroaromatic compound - 2-furanone - Dihydrofuran - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Organic nitro compound - Lactone - C-nitro compound - Carboxylic acid derivative - Enamine - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Primary aliphatic amine - Organic oxygen compound - Organic salt - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available