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

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[3-nitro-4-(1-piperidyl)benzoyl]amino]benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-(4-methylpiperazino)-3-[(3-nitro-4-piperidino-benzoyl)amino]benzoic acid methyl ester Formula: C25H31N5O5 MolecularWeight: 481.54414

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H31N5O5/c1-27-12-14-29(15-13-27)21-8-7-19(25(32)35-2)16-20(21)26-24(31)18-6-9-22(23(17-18)30(33)34)28-10-4-3-5-11-28/h6-9,16-17H,3-5,10-15H2,1-2H3,(H,26,31)