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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C#N)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1C(C#N)C(=O)C2=CC3=C(C=C2)OCO3

InChI

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