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

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]benzoate Traditional Name: 4-(4-methylpiperazino)-3-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]benzoic acid methyl ester Formula: C26H33N5O5 MolecularWeight: 495.57072

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C26H33N5O5/c1-18-8-10-29(11-9-18)23-7-4-19(17-24(23)31(34)35)25(32)27-21-16-20(26(33)36-3)5-6-22(21)30-14-12-28(2)13-15-30/h4-7,16-18H,8-15H2,1-3H3,(H,27,32)