1-[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-6-oxidanylidene-pyridazin-3-olate

Systemtic Name: 1-[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-6-oxidanylidene-pyridazin-3-olate Openeye Name: 1-[(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]-6-oxo-pyridazin-3-olate CAS Name: 1-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-6-oxo-3-pyridazinolate IUPAC Name: 1-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-6-oxopyridazin-3-olate Traditional Name: 1-[(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl]-6-keto-pyridazin-3-olate Formula: C14H11N4O3- MolecularWeight: 283.26214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)N2C(=O)C=CC(=N2)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)N2C(=O)C=CC(=N2)[O-]

InChI

InChI=1S/C14H12N4O3/c1-9(18-13(20)6-5-12(19)17-18)14(21)16-11-4-2-3-10(7-11)8-15/h2-7,9H,1H3,(H,16,21)(H,17,19)/p-1/t9-/m1/s1