propyl 4-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: propyl 4-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoyl]amino]benzoate CAS Name: 4-[[[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzoyl]amino]benzoate Traditional Name: 4-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoyl]amino]benzoic acid propyl ester Formula: C22H27N4O5+ MolecularWeight: 427.47358

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5/c1-3-14-31-22(28)16-4-7-18(8-5-16)23-21(27)17-6-9-19(20(15-17)26(29)30)25-12-10-24(2)11-13-25/h4-9,15H,3,10-14H2,1-2H3,(H,23,27)/p+1