[(2S)-1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [(2S)-1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [(1S)-2-(3-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [(1S)-2-(3-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H15ClFN3O3 MolecularWeight: 387.792103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)Cl)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)F)Cl)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C19H15ClFN3O3/c1-12(18(25)23-14-5-8-17(21)16(20)11-14)27-19(26)13-3-6-15(7-4-13)24-10-2-9-22-24/h2-12H,1H3,(H,23,25)/t12-/m0/s1