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

Systemtic Name: butyl 4-[[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[4-(4-methylpiperazin-1-yl)-3-nitro-benzoyl]amino]benzoate CAS Name: 4-[[[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-(4-methylpiperazin-1-yl)-3-nitrobenzoyl]amino]benzoate Traditional Name: 4-[[4-(4-methylpiperazino)-3-nitro-benzoyl]amino]benzoic acid butyl ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(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)