2-(3-chlorophenyl)-3-oxidanylidene-3-(2,4,5,6-tetradeuteriopyridin-3-yl)propanenitrile

Systemtic Name: 2-(3-chlorophenyl)-3-oxidanylidene-3-(2,4,5,6-tetradeuteriopyridin-3-yl)propanenitrile Openeye Name: 2-(3-chlorophenyl)-3-oxo-3-(2,4,5,6-tetradeuterio-3-pyridyl)propanenitrile CAS Name: 2-(3-chlorophenyl)-3-oxo-3-(2,4,5,6-tetradeuterio-3-pyridinyl)propanenitrile IUPAC Name: 2-(3-chlorophenyl)-3-oxo-3-(2,4,5,6-tetradeuteriopyridin-3-yl)propanenitrile Traditional Name: 2-(3-chlorophenyl)-3-keto-3-(2,4,5,6-tetradeuterio-3-pyridyl)propionitrile Formula: C14H9ClN2O MolecularWeight: 260.711707

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(C#N)C(=O)C2=CN=CC=C2

Isomeric SMILES

[2H]C1=C(C(=C(N=C1[2H])[2H])C(=O)C(C#N)C2=CC(=CC=C2)Cl)[2H]

InChI

InChI=1S/C14H9ClN2O/c15-12-5-1-3-10(7-12)13(8-16)14(18)11-4-2-6-17-9-11/h1-7,9,13H/i2D,4D,6D,9D