[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 5-amino-3-methyl-isoxazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isoxazolecarboxylic 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] 5-amino-3-methyl-1,2-oxazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isoxazole-4-carboxylic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CC1=NOC(=C1C(=O)O[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C16H17N3O6/c1-8-13(14(17)25-19-8)16(21)24-9(2)15(20)18-6-10-3-4-11-12(5-10)23-7-22-11/h3-5,9H,6-7,17H2,1-2H3,(H,18,20)/t9-/m1/s1