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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C13H12BrFN4O4/c1-23-13-11(19(21)22)7-18(17-13)5-4-12(20)16-10-3-2-8(14)6-9(10)15/h2-3,6-7H,4-5H2,1H3,(H,16,20)