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

Systemtic Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(3-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(3-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-[(3-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(3-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-m-toluoyl-acrylonitrile Formula: C19H15NO4 MolecularWeight: 321.3267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC2=CC3=C(C(=C2)OC)OCO3)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C(=C/C2=CC3=C(C(=C2)OC)OCO3)/C#N

InChI

InChI=1S/C19H15NO4/c1-12-4-3-5-14(6-12)18(21)15(10-20)7-13-8-16(22-2)19-17(9-13)23-11-24-19/h3-9H,11H2,1-2H3/b15-7+