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

Systemtic Name: butyl 4-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C23H29N4O5+ MolecularWeight: 441.50016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O5/c1-3-4-15-32-23(29)17-5-8-19(9-6-17)24-22(28)18-7-10-20(21(16-18)27(30)31)26-13-11-25(2)12-14-26/h5-10,16H,3-4,11-15H2,1-2H3,(H,24,28)/p+1