[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-methoxyphenyl)-2-propenoic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-methoxyphenyl)acrylic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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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)OC)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)/C(=C/C3=CC(=CC=C3)OC)/C#N

InChI

InChI=1S/C21H18N2O6/c1-13(20(24)23-16-6-7-18-19(10-16)28-12-27-18)29-21(25)15(11-22)8-14-4-3-5-17(9-14)26-2/h3-10,13H,12H2,1-2H3,(H,23,24)/b15-8+/t13-/m1/s1