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

Systemtic Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(3-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-[(3-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(3-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-2-m-anisoyl-3-(7-methoxy-1,3-benzodioxol-5-yl)acrylonitrile Formula: C19H15NO5 MolecularWeight: 337.3261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C(=CC2=CC3=C(C(=C2)OC)OCO3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H15NO5/c1-22-15-5-3-4-13(9-15)18(21)14(10-20)6-12-7-16(23-2)19-17(8-12)24-11-25-19/h3-9H,11H2,1-2H3/b14-6+