methyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[[2-(4-methylpiperidino)-5-nitro-benzoyl]amino]benzoic acid methyl ester Formula: C27H35N5O5 MolecularWeight: 509.5973

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)C

InChI

InChI=1S/C27H35N5O5/c1-4-29-13-15-31(16-14-29)25-7-5-20(27(34)37-3)17-23(25)28-26(33)22-18-21(32(35)36)6-8-24(22)30-11-9-19(2)10-12-30/h5-8,17-19H,4,9-16H2,1-3H3,(H,28,33)