[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-oxidanylidene-2,4-dihydro-1H-pyridazine-6-carboxylate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-oxidanylidene-2,4-dihydro-1H-pyridazine-6-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate CAS Name: 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylic 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] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate Traditional Name: 3-keto-2,4-dihydro-1H-pyridazine-6-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:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CCC(=O)NN3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CCC(=O)NN3

InChI

InChI=1S/C16H17N3O6/c1-9(25-16(22)11-3-5-14(20)19-18-11)15(21)17-7-10-2-4-12-13(6-10)24-8-23-12/h2-4,6,9,18H,5,7-8H2,1H3,(H,17,21)(H,19,20)/t9-/m1/s1