6-[[(1S)-3-methoxy-1-(4-methylphenyl)-3-oxidanylidene-propyl]carbamoyl]pyridazin-3-olate

Systemtic Name: 6-[[(1S)-3-methoxy-1-(4-methylphenyl)-3-oxidanylidene-propyl]carbamoyl]pyridazin-3-olate Openeye Name: 6-[[(1S)-3-methoxy-3-oxo-1-(p-tolyl)propyl]carbamoyl]pyridazin-3-olate CAS Name: 6-[[[(1S)-3-methoxy-1-(4-methylphenyl)-3-oxopropyl]amino]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[[(1S)-3-methoxy-1-(4-methylphenyl)-3-oxopropyl]carbamoyl]pyridazin-3-olate Traditional Name: 6-[[(1S)-3-keto-3-methoxy-1-(p-tolyl)propyl]carbamoyl]pyridazin-3-olate Formula: C16H16N3O4- MolecularWeight: 314.31594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC)NC(=O)C2=NN=C(C=C2)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)OC)NC(=O)C2=NN=C(C=C2)[O-]

InChI

InChI=1S/C16H17N3O4/c1-10-3-5-11(6-4-10)13(9-15(21)23-2)17-16(22)12-7-8-14(20)19-18-12/h3-8,13H,9H2,1-2H3,(H,17,22)(H,19,20)/p-1/t13-/m0/s1