(Z)-3-(1,3-benzodioxol-5-yl)-2-(3-methylphenyl)prop-2-enenitrile

Systemtic Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(3-methylphenyl)prop-2-enenitrile Openeye Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(m-tolyl)prop-2-enenitrile CAS Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(3-methylphenyl)-2-propenenitrile IUPAC Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(3-methylphenyl)prop-2-enenitrile Traditional Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(m-tolyl)acrylonitrile Formula: C17H13NO2 MolecularWeight: 263.29062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=CC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO2/c1-12-3-2-4-14(7-12)15(10-18)8-13-5-6-16-17(9-13)20-11-19-16/h2-9H,11H2,1H3/b15-8+