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

Systemtic Name: (2S)-N-(3-chloranyl-4-fluoranyl-phenyl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide Openeye Name: (2S)-N-(3-chloro-4-fluoro-phenyl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide CAS Name: (2S)-N-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methylpropanamide IUPAC Name: (2S)-N-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanamide Traditional Name: (2S)-N-(3-chloro-4-fluoro-phenyl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propionamide Formula: C15H16ClFN4O3 MolecularWeight: 354.763943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NC2=CC(=C(C=C2)F)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[C@H](C)C(=O)NC2=CC(=C(C=C2)F)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C15H16ClFN4O3/c1-8(7-20-10(3)14(21(23)24)9(2)19-20)15(22)18-11-4-5-13(17)12(16)6-11/h4-6,8H,7H2,1-3H3,(H,18,22)/t8-/m0/s1