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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-(3-methylphenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(m-tolyl)-3-oxo-propanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-(3-methylphenyl)-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-(3-methylphenyl)-3-oxopropanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-keto-3-(m-tolyl)propionitrile Formula: C17H13NO3 MolecularWeight: 279.29002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C(C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H13NO3/c1-11-3-2-4-13(7-11)17(19)14(9-18)12-5-6-15-16(8-12)21-10-20-15/h2-8,14H,10H2,1H3