(Z)-2-(3-bromophenyl)-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile

Systemtic Name: (Z)-2-(3-bromophenyl)-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile Openeye Name: (Z)-2-(3-bromophenyl)-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (Z)-2-(3-bromophenyl)-3-(6-methoxy-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: (Z)-2-(3-bromophenyl)-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: (Z)-2-(3-bromophenyl)-3-(6-methoxy-1,3-benzodioxol-5-yl)acrylonitrile Formula: C17H12BrNO3 MolecularWeight: 358.18608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1C=C(C#N)C3=CC(=CC=C3)Br)OCO2

Isomeric SMILES

COC1=CC2=C(C=C1/C=C(\C#N)/C3=CC(=CC=C3)Br)OCO2

InChI

InChI=1S/C17H12BrNO3/c1-20-15-8-17-16(21-10-22-17)7-12(15)5-13(9-19)11-3-2-4-14(18)6-11/h2-8H,10H2,1H3/b13-5+