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

Systemtic Name: [(2S)-1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-oxidanylidene-2,4-dihydro-1H-pyridazine-6-carboxylate Openeye Name: [(1S)-2-(2-chloro-4-fluoro-anilino)-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 [(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-chloro-4-fluoroanilino)-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 [(1S)-2-(2-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C14H13ClFN3O4 MolecularWeight: 341.722123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)C2=CCC(=O)NN2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)C2=CCC(=O)NN2

InChI

InChI=1S/C14H13ClFN3O4/c1-7(23-14(22)11-4-5-12(20)19-18-11)13(21)17-10-3-2-8(16)6-9(10)15/h2-4,6-7,18H,5H2,1H3,(H,17,21)(H,19,20)/t7-/m0/s1