propan-2-yl 4-[[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]benzoate

Systemtic Name: propan-2-yl 4-[[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 4-[[4-(4-methylpiperazin-1-yl)-3-nitrobenzoyl]amino]benzoate Traditional Name: 4-[[4-(4-methylpiperazino)-3-nitro-benzoyl]amino]benzoic acid isopropyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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