O4-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester O1-ethyl ester IUPAC Name: 4-O-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester O1-ethyl ester Formula: C16H17NO7 MolecularWeight: 335.30868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OC(C)C(=O)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)O[C@H](C)C(=O)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H17NO7/c1-3-21-14(18)6-7-15(19)24-10(2)16(20)17-11-4-5-12-13(8-11)23-9-22-12/h4-8,10H,3,9H2,1-2H3,(H,17,20)/b7-6+/t10-/m1/s1