(E)-3-(5-bromanyl-2-prop-2-ynoxy-phenyl)-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(5-bromanyl-2-prop-2-ynoxy-phenyl)-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(5-bromo-2-prop-2-ynoxy-phenyl)-2-(3-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-3-(5-bromo-2-prop-2-ynoxyphenyl)-2-[(3-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(5-bromo-2-prop-2-ynoxyphenyl)-2-(3-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(5-bromo-2-propargyloxy-phenyl)-2-m-anisoyl-acrylonitrile Formula: C20H14BrNO3 MolecularWeight: 396.23406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C(=CC2=C(C=CC(=C2)Br)OCC#C)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)/C(=C/C2=C(C=CC(=C2)Br)OCC#C)/C#N

InChI

InChI=1S/C20H14BrNO3/c1-3-9-25-19-8-7-17(21)11-15(19)10-16(13-22)20(23)14-5-4-6-18(12-14)24-2/h1,4-8,10-12H,9H2,2H3/b16-10+