[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] (Z)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] (Z)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (Z)-2-acetamido-3-phenyl-2-propenoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] (Z)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (Z)-2-acetamido-3-phenyl-acrylic acid [2-(1,3-benzodioxol-5-ylamino)-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=CC2=C(C=C1)OCO2)OC(=O)C(=CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)/C(=C/C3=CC=CC=C3)/NC(=O)C

InChI

InChI=1S/C21H20N2O6/c1-13(20(25)23-16-8-9-18-19(11-16)28-12-27-18)29-21(26)17(22-14(2)24)10-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,22,24)(H,23,25)/b17-10-