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

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H16N2O5/c1-13(20(24)22-16-5-3-2-4-15(16)11-21)27-19(23)9-7-14-6-8-17-18(10-14)26-12-25-17/h2-10,13H,12H2,1H3,(H,22,24)/b9-7+