N-[4-bromanyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[4-bromanyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-[4-bromo-1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-[4-bromo-1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]-3-(4-nitropyrazol-1-yl)propionamide Formula: C16H13BrClFN6O3 MolecularWeight: 471.668223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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