Compound Identification
SMILES
CCC1=CC(=NC=C1)N1N=NN=C1COC1=C(OC)C=C(CC#N)C=C1Br
InChIKey
InChIKey=LVWHEJKGNSYWIC-UHFFFAOYSA-N
Formula
C18H17BrN6O2
Mass
429.278
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzyl cyanides
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyl cyanides
Intermediate Tree Nodes
Not available
Direct Parent
Benzyl cyanides
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers Pyridines and derivatives Aryl bromides Tetrazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl-cyanide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Azole - Tetrazole - Azacycle - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Cyanide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group.
External Descriptors
Not available