N-(4-bromanyl-2-fluoranyl-phenyl)-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C13H12BrFN4O4 MolecularWeight: 387.161183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)N2C=C(C(=N2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Br)F)N2C=C(C(=N2)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H12BrFN4O4/c1-7(18-6-11(19(21)22)13(17-18)23-2)12(20)16-10-4-3-8(14)5-9(10)15/h3-7H,1-2H3,(H,16,20)