[(2S)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-fluoranyl-benzoate

Systemtic Name: [(2S)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-fluoranyl-benzoate Openeye Name: [(1S)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethyl] 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid [(2S)-1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [(1S)-2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-methyl-ethyl] ester Formula: C21H21FN4O4 MolecularWeight: 412.414243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=C(C=C(C=C3)F)N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)OC(=O)C3=C(C=C(C=C3)F)N

InChI

InChI=1S/C21H21FN4O4/c1-12-18(20(28)26(25(12)3)15-7-5-4-6-8-15)24-19(27)13(2)30-21(29)16-10-9-14(22)11-17(16)23/h4-11,13H,23H2,1-3H3,(H,24,27)/t13-/m0/s1