3-(2,5-dimethylphenyl)-3-oxidanylidene-2-phenyl-propanenitrile

Systemtic Name: 3-(2,5-dimethylphenyl)-3-oxidanylidene-2-phenyl-propanenitrile Openeye Name: 3-(2,5-dimethylphenyl)-3-oxo-2-phenyl-propanenitrile CAS Name: 3-(2,5-dimethylphenyl)-3-oxo-2-phenylpropanenitrile IUPAC Name: 3-(2,5-dimethylphenyl)-3-oxo-2-phenylpropanenitrile Traditional Name: 3-(2,5-dimethylphenyl)-3-keto-2-phenyl-propionitrile Formula: C17H15NO MolecularWeight: 249.3071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C#N)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C(C#N)C2=CC=CC=C2

InChI

InChI=1S/C17H15NO/c1-12-8-9-13(2)15(10-12)17(19)16(11-18)14-6-4-3-5-7-14/h3-10,16H,1-2H3