Compound Identification
SMILES
OCCNC=C1C(=O)N(N=C1C1=CC=C(C=C1)[N+]([O-])=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=LGVBTZXHANATCI-UHFFFAOYSA-N
Formula
C18H15N5O6
Mass
397.347
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
Nitroaromatic compounds Pyrazolones Vinylogous amides 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Allylamines Azacyclic compounds Carboxylic acids and derivatives Dialkylamines Enamines Organic oxoazanium compounds Hydrocarbon derivatives Primary alcohols Organic oxides Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Pyrazolinone - Pyrazoline - Vinylogous amide - 1,2-aminoalcohol - C-nitro compound - Organic nitro compound - Azacycle - Alkanolamine - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allylamine - Organoheterocyclic compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Organic oxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Amine - Organic salt - Alcohol - Organic nitrogen compound - Aromatic heteromonocyclic 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