N-(4-bromanyl-2-fluoranyl-phenyl)-3-(3-nitropyrazol-1-yl)propanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-3-(3-nitropyrazol-1-yl)propionamide Formula: C12H10BrFN4O3 MolecularWeight: 357.135203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)NC(=O)CCN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Br)F)NC(=O)CCN2C=CC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H10BrFN4O3/c13-8-1-2-10(9(14)7-8)15-12(19)4-6-17-5-3-11(16-17)18(20)21/h1-3,5,7H,4,6H2,(H,15,19)