(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(3-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-m-toluoyl-acrylonitrile Formula: C20H17NO4 MolecularWeight: 335.35328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC2=CC3=C(C(=C2)OC)OCCO3)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C(=C/C2=CC3=C(C(=C2)OC)OCCO3)/C#N

InChI

InChI=1S/C20H17NO4/c1-13-4-3-5-15(8-13)19(22)16(12-21)9-14-10-17(23-2)20-18(11-14)24-6-7-25-20/h3-5,8-11H,6-7H2,1-2H3/b16-9+