(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-propylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-propylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-propylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-[oxo-(4-propylphenyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-propylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-propylbenzoyl)acrylonitrile Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(=CC2=CC3=C(C(=C2)OC)OCO3)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)/C(=C/C2=CC3=C(C(=C2)OC)OCO3)/C#N

InChI

InChI=1S/C21H19NO4/c1-3-4-14-5-7-16(8-6-14)20(23)17(12-22)9-15-10-18(24-2)21-19(11-15)25-13-26-21/h5-11H,3-4,13H2,1-2H3/b17-9+