Compound Identification
SMILES
CNC1=C(NC=CC(=O)C2=CC=C(OC)C=C2)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=KXGYAOQADHKTRT-UHFFFAOYSA-N
Formula
C17H17N3O4
Mass
327.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
Aniline and substituted anilines Anisoles Aryl ketones Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Phenylalkylamines Alkyl aryl ethers Secondary alkylarylamines Enones Acryloyl compounds Vinylogous amides Allylamines Organic oxoazanium compounds Enamines Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenylalkylamine - Aniline or substituted anilines - Phenol ether - Aryl ketone - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Acryloyl-group - Enone - Vinylogous amide - Alpha,beta-unsaturated ketone - Ketone - C-nitro compound - Organic nitro compound - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Allylamine - Organic oxoazanium - Enamine - Ether - Organic salt - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organic oxide - Organic zwitterion - Organooxygen compound - Aromatic homomonocyclic 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