4-(4-methylpiperazin-1-yl)-3-nitro-N-[2,3,4-tris(fluoranyl)phenyl]benzamide

Systemtic Name: 4-(4-methylpiperazin-1-yl)-3-nitro-N-[2,3,4-tris(fluoranyl)phenyl]benzamide Openeye Name: 4-(4-methylpiperazin-1-yl)-3-nitro-N-(2,3,4-trifluorophenyl)benzamide CAS Name: 4-(4-methyl-1-piperazinyl)-3-nitro-N-(2,3,4-trifluorophenyl)benzamide IUPAC Name: 4-(4-methylpiperazin-1-yl)-3-nitro-N-(2,3,4-trifluorophenyl)benzamide Traditional Name: 4-(4-methylpiperazino)-3-nitro-N-(2,3,4-trifluorophenyl)benzamide Formula: C18H17F3N4O3 MolecularWeight: 394.34779

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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)F)F)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H17F3N4O3/c1-23-6-8-24(9-7-23)14-5-2-11(10-15(14)25(27)28)18(26)22-13-4-3-12(19)16(20)17(13)21/h2-5,10H,6-9H2,1H3,(H,22,26)