Compound Identification
SMILES
COC(=O)[C@@H]1[C@@H](C2=CC=C(C=C2)[N+]([O-])=O)[C@@]1(C#N)C1=NN=C(O1)C1=CC=CC=C1
InChIKey
InChIKey=FQFPRWDULZDEIZ-GQIGUUNPSA-N
Formula
C20H14N4O5
Mass
390.355
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 Cyclopropanecarboxylic acids and derivatives 1,3,4-oxadiazoles Heteroaromatic compounds Methyl esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Nitriles Organic oxoazanium compounds Organic salts Carbonyl compounds Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Cyclopropanecarboxylic acid or derivatives - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic salt - 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