ethyl 4-[[5-nitro-2-(2-piperidin-1-ium-1-ylethanoylamino)phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[5-nitro-2-(2-piperidin-1-ium-1-ylethanoylamino)phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[5-nitro-2-[(2-piperidin-1-ium-1-ylacetyl)amino]benzoyl]amino]benzoate CAS Name: 4-[[[5-nitro-2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-nitro-2-[(2-piperidin-1-ium-1-ylacetyl)amino]benzoyl]amino]benzoate Traditional Name: 4-[[5-nitro-2-[(2-piperidin-1-ium-1-ylacetyl)amino]benzoyl]amino]benzoic acid ethyl ester Formula: C23H27N4O6+ MolecularWeight: 455.48368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C23H26N4O6/c1-2-33-23(30)16-6-8-17(9-7-16)24-22(29)19-14-18(27(31)32)10-11-20(19)25-21(28)15-26-12-4-3-5-13-26/h6-11,14H,2-5,12-13,15H2,1H3,(H,24,29)(H,25,28)/p+1