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

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(4-acetamidoanilino)-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-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-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-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6/c1-13(21(26)23-17-7-5-16(6-8-17)22-14(2)24)29-20(25)10-4-15-3-9-18-19(11-15)28-12-27-18/h3-11,13H,12H2,1-2H3,(H,22,24)(H,23,26)/b10-4+