[2-(2-bromophenyl)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: [2-(2-bromophenyl)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: [2-(2-bromophenyl)-2-oxo-ethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid [2-(2-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-bromophenyl)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-acrylic acid [2-(2-bromophenyl)-2-keto-ethyl] ester Formula: C19H12BrNO5 MolecularWeight: 414.20628

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)OCC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\C#N)/C(=O)OCC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C19H12BrNO5/c20-15-4-2-1-3-14(15)16(22)10-24-19(23)13(9-21)7-12-5-6-17-18(8-12)26-11-25-17/h1-8H,10-11H2/b13-7+