Compound Identification
SMILES
COC1=C(CC2=NC(N)=NC(NC3=CC=C(C=C3)C#N)=N2)C=C(Br)C=C1
InChIKey
InChIKey=NZZOTAOAONSNOO-UHFFFAOYSA-N
Formula
C18H15BrN6O
Mass
411.263
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
1,3,5-triazine-2,4-diamines Phenoxy compounds Aniline and substituted anilines Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes 1,3,5-triazines Aryl bromides Heteroaromatic compounds Azacyclic compounds Nitriles Secondary amines Hydrocarbon derivatives Organobromides Organopnictogen compounds Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Anisole - Benzonitrile - Phenol ether - Aniline or substituted anilines - Methoxybenzene - 2,4-diamine-s-triazine - Phenoxy compound - Alkyl aryl ether - Aminotriazine - Bromobenzene - Amino-1,3,5-triazine - Halobenzene - Aryl bromide - 1,3,5-triazine - Triazine - Aryl halide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Primary amine - Amine - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available