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

Systemtic Name: 4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(3-fluoranyl-4-methyl-phenyl)benzamide Openeye Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(3-fluoro-4-methyl-phenyl)benzamide CAS Name: 4-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-(3-fluoro-4-methylphenyl)benzamide IUPAC Name: 4-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(3-fluoro-4-methylphenyl)benzamide Traditional Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(3-fluoro-4-methyl-phenyl)benzamide Formula: C18H14BrFN4O3 MolecularWeight: 433.231163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br)F

InChI

InChI=1S/C18H14BrFN4O3/c1-11-2-7-14(8-16(11)20)21-18(25)13-5-3-12(4-6-13)9-23-10-15(19)17(22-23)24(26)27/h2-8,10H,9H2,1H3,(H,21,25)