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

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(2,4-dimethoxyphenyl)-5-nitro-benzamide Openeye Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-5-nitro-benzamide CAS Name: 2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N-(2,4-dimethoxyphenyl)-5-nitrobenzamide IUPAC Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-5-nitrobenzamide Traditional Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-5-nitro-benzamide Formula: C23H29N4O6+ MolecularWeight: 457.49956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C[NH+]3CCCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C[NH+]3CCCCCC3)OC

InChI

InChI=1S/C23H28N4O6/c1-32-17-8-10-20(21(14-17)33-2)25-23(29)18-13-16(27(30)31)7-9-19(18)24-22(28)15-26-11-5-3-4-6-12-26/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,24,28)(H,25,29)/p+1