[(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate

Systemtic Name: [(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-4,5-dihydro-1H-pyridazine-3-carboxylic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)C2=NNC(=O)CC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)OC(=O)C2=NNC(=O)CC2

InChI

InChI=1S/C16H19N3O4/c1-9-4-5-10(2)13(8-9)17-15(21)11(3)23-16(22)12-6-7-14(20)19-18-12/h4-5,8,11H,6-7H2,1-3H3,(H,17,21)(H,19,20)/t11-/m0/s1