(1-cyanoindolizin-2-yl)methyl (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate Openeye Name: (1-cyanoindolizin-2-yl)methyl (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate CAS Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate Traditional Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)acrylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C=CC(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C=C/C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C21H16N2O4/c22-12-17-16(13-23-8-2-1-3-18(17)23)14-27-21(24)7-5-15-4-6-19-20(11-15)26-10-9-25-19/h1-8,11,13H,9-10,14H2/b7-5+