[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C(=CC3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)/C(=C/C3=CC=C(C=C3)OC)/C#N

InChI

InChI=1S/C22H20N2O6/c1-14(21(25)24-17-5-8-19-20(12-17)29-10-9-28-19)30-22(26)16(13-23)11-15-3-6-18(27-2)7-4-15/h3-8,11-12,14H,9-10H2,1-2H3,(H,24,25)/b16-11+