N-(4-bromanyl-2-fluoranyl-phenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-(4-bromo-2-fluorophenyl)-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C18H18BrFN4O3 MolecularWeight: 437.262923

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrFN4O3/c1-22-6-8-23(9-7-22)16-5-2-12(10-17(16)24(26)27)18(25)21-15-4-3-13(19)11-14(15)20/h2-5,10-11H,6-9H2,1H3,(H,21,25)