[2-(3-bromophenyl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-2-propenoic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-phenetyl-acrylic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C20H16BrNO4 MolecularWeight: 414.24934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C20H16BrNO4/c1-2-25-18-8-6-14(7-9-18)10-16(12-22)20(24)26-13-19(23)15-4-3-5-17(21)11-15/h3-11H,2,13H2,1H3/b16-10+