(2R)-N-(4-bromanyl-2-fluoranyl-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: (2R)-N-(4-bromanyl-2-fluoranyl-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: (2R)-N-(4-bromo-2-fluoro-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: (2R)-N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: (2R)-N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide Traditional Name: (2R)-N-(4-bromo-2-fluoro-phenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionamide Formula: C14H14BrFN4O3 MolecularWeight: 385.188363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NC2=C(C=C(C=C2)Br)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1[C@H](C)C(=O)NC2=C(C=C(C=C2)Br)F)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14BrFN4O3/c1-7-13(20(22)23)8(2)19(18-7)9(3)14(21)17-12-5-4-10(15)6-11(12)16/h4-6,9H,1-3H3,(H,17,21)/t9-/m1/s1