(2S)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(5-fluoranyl-2-nitro-phenoxy)propanamide

Systemtic Name: (2S)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(5-fluoranyl-2-nitro-phenoxy)propanamide Openeye Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(5-fluoro-2-nitro-phenoxy)propanamide CAS Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(5-fluoro-2-nitrophenoxy)propanamide IUPAC Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5-fluoro-2-nitrophenoxy)propanamide Traditional Name: (2S)-2-(5-fluoro-2-nitro-phenoxy)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C20H19FN4O5 MolecularWeight: 414.387063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC3=C(C=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)OC3=C(C=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19FN4O5/c1-12-18(20(27)24(23(12)3)15-7-5-4-6-8-15)22-19(26)13(2)30-17-11-14(21)9-10-16(17)25(28)29/h4-11,13H,1-3H3,(H,22,26)/t13-/m0/s1