[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C19H13NO5 MolecularWeight: 335.31022

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C=CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)/C=C/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H13NO5/c20-10-14-3-1-13(2-4-14)5-8-19(22)23-11-16(21)15-6-7-17-18(9-15)25-12-24-17/h1-9H,11-12H2/b8-5+