O4-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester O1-ethyl ester IUPAC Name: 4-O-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester O1-ethyl ester Formula: C17H19NO7 MolecularWeight: 349.33526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OC(C)C(=O)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)O[C@H](C)C(=O)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C17H19NO7/c1-3-22-15(19)6-7-16(20)25-11(2)17(21)18-12-4-5-13-14(10-12)24-9-8-23-13/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,21)/b7-6+/t11-/m1/s1