3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-4-yl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-4-yl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[1-[(2-chloro-4-fluoro-phenyl)methyl]pyrazol-4-yl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrazolyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[1-(2-chloro-4-fluoro-benzyl)pyrazol-4-yl]propionamide Formula: C16H13BrClFN6O3 MolecularWeight: 471.668223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Cl)CN2C=C(C=N2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1F)Cl)CN2C=C(C=N2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H13BrClFN6O3/c17-13-9-23(22-16(13)25(27)28)4-3-15(26)21-12-6-20-24(8-12)7-10-1-2-11(19)5-14(10)18/h1-2,5-6,8-9H,3-4,7H2,(H,21,26)