3-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanenitrile

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanenitrile Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanenitrile CAS Name: 3-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanenitrile IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanenitrile Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propionitrile Formula: C17H15NO3 MolecularWeight: 281.3059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC=C(C=C1)C(CC#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H15NO3/c1-19-14-5-2-12(3-6-14)15(8-9-18)13-4-7-16-17(10-13)21-11-20-16/h2-7,10,15H,8,11H2,1H3