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

Systemtic Name: [(2S)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: [(1S)-2-(4-bromo-2-fluoro-anilino)-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-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-bromo-2-fluoroanilino)-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-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C14H13BrFN3O4 MolecularWeight: 386.173123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)C2=NNC(=O)CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)C2=NNC(=O)CC2

InChI

InChI=1S/C14H13BrFN3O4/c1-7(23-14(22)11-4-5-12(20)19-18-11)13(21)17-10-3-2-8(15)6-9(10)16/h2-3,6-7H,4-5H2,1H3,(H,17,21)(H,19,20)/t7-/m0/s1