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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(2-furyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2-furanyl)-2-propenoic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-furyl)acrylic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C19H16N2O6 MolecularWeight: 368.34014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C(=CC3=CC=CO3)C#N

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)/C(=C/C3=CC=CO3)/C#N

InChI

InChI=1S/C19H16N2O6/c1-12(27-19(23)14(9-20)8-15-3-2-6-24-15)18(22)21-10-13-4-5-16-17(7-13)26-11-25-16/h2-8,12H,10-11H2,1H3,(H,21,22)/b14-8+/t12-/m1/s1