N-(2-fluorophenyl)-5-nitro-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-(2-fluorophenyl)-5-nitro-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-(2-fluorophenyl)-5-nitro-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: N-(2-fluorophenyl)-5-nitro-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-(2-fluorophenyl)-5-nitro-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-(2-fluorophenyl)-5-nitro-2-[[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C23H23FN7O4+ MolecularWeight: 480.471623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3F)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3F)C4=NC=CC=N4

InChI

InChI=1S/C23H22FN7O4/c24-18-4-1-2-5-20(18)28-22(33)17-14-16(31(34)35)6-7-19(17)27-21(32)15-29-10-12-30(13-11-29)23-25-8-3-9-26-23/h1-9,14H,10-13,15H2,(H,27,32)(H,28,33)/p+1