3-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-3-oxo-propanenitrile CAS Name: 3-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-3-oxopropanenitrile IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-3-oxopropanenitrile Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-3-keto-propionitrile Formula: C16H10ClNO3 MolecularWeight: 299.7085

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C(C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)C(C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H10ClNO3/c17-12-4-1-10(2-5-12)13(8-18)16(19)11-3-6-14-15(7-11)21-9-20-14/h1-7,13H,9H2