Compound Identification
SMILES
CCOC(=O)C(C#N)=C1C=CC(C=C1)=C(C#N)C1=CC=CC=N1
InChIKey
InChIKey=QMACMUDFBYPLKV-UHFFFAOYSA-N
Formula
C18H13N3O2
Mass
303.321
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Hydrocarbon derivatives
-
Class
Quinodimethanes
- Subclass P-quinodimethanes
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Class
Quinodimethanes
-
Superclass
Hydrocarbon derivatives
Kingdom
Organic compounds
Superclass
Hydrocarbon derivatives
Class
Quinodimethanes
Subclass
P-quinodimethanes
Intermediate Tree Nodes
Not available
Direct Parent
P-quinodimethanes
Alternative Parents
Pyridines and derivatives Benzene and substituted derivatives Heteroaromatic compounds Enoate esters Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-quinodimethane - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Cyanide - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-quinodimethanes. These are compounds containing a benzene ring conjugated to two methylidene groups at carbon atoms 1 and 4, respectively..
External Descriptors
Not available