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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-4-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-4-oxo-butanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-4-oxobutanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-4-oxobutanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-4-keto-butyronitrile Formula: C17H12ClNO3 MolecularWeight: 313.73508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClNO3/c18-14-4-1-11(2-5-14)15(20)7-13(9-19)12-3-6-16-17(8-12)22-10-21-16/h1-6,8,13H,7,10H2