Compound Identification
SMILES
CC1(C)N=C(C(C#N)=[N+]([O-])C(=O)C2=CC=CC=C2)C(C)(C)N1O
InChIKey
InChIKey=PWMCYOFPYIWFFO-UHFFFAOYSA-N
Formula
C16H18N4O3
Mass
314.345
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Benzoyl derivatives Secondary ketimines Azomethines Imidazolines Nitrones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Nitriles N-organohydroxylamines Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Benzoyl - Azomethine - 3-imidazoline - Secondary ketimine - Ketimine - Nitrone - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - N-organohydroxylamine - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Organic zwitterion - Cyanide - Imine - Organic salt - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available