N-(3,5-dimethoxyphenyl)-5-nitro-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-5-nitro-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-(3,5-dimethoxyphenyl)-5-nitro-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: N-(3,5-dimethoxyphenyl)-5-nitro-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-(3,5-dimethoxyphenyl)-5-nitro-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-(3,5-dimethoxyphenyl)-5-nitro-2-[[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C25H28N7O6+ MolecularWeight: 522.53312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4)OC

InChI

InChI=1S/C25H27N7O6/c1-37-19-12-17(13-20(15-19)38-2)28-24(34)21-14-18(32(35)36)4-5-22(21)29-23(33)16-30-8-10-31(11-9-30)25-26-6-3-7-27-25/h3-7,12-15H,8-11,16H2,1-2H3,(H,28,34)(H,29,33)/p+1