[1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: [1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: [2-(4-acetylanilino)-1-methyl-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 [1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetylanilino)-1-oxopropan-2-yl] (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-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/C#N

InChI

InChI=1S/C22H18N2O6/c1-13(25)16-4-6-18(7-5-16)24-21(26)14(2)30-22(27)17(11-23)9-15-3-8-19-20(10-15)29-12-28-19/h3-10,14H,12H2,1-2H3,(H,24,26)/b17-9+