(2R)-N-(3-chloranyl-4-fluoranyl-phenyl)-2-methyl-3-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: (2R)-N-(3-chloranyl-4-fluoranyl-phenyl)-2-methyl-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: (2R)-N-(3-chloro-4-fluoro-phenyl)-2-methyl-3-(4-nitropyrazol-1-yl)propanamide CAS Name: (2R)-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: (2R)-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: (2R)-N-(3-chloro-4-fluoro-phenyl)-2-methyl-3-(4-nitropyrazol-1-yl)propionamide Formula: C13H12ClFN4O3 MolecularWeight: 326.710783

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C[C@H](CN1C=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C13H12ClFN4O3/c1-8(6-18-7-10(5-16-18)19(21)22)13(20)17-9-2-3-12(15)11(14)4-9/h2-5,7-8H,6H2,1H3,(H,17,20)/t8-/m1/s1