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

Systemtic Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H37N5O5 MolecularWeight: 523.62388

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H37N5O5/c1-4-30-14-16-32(17-15-30)26-8-6-21(28(35)38-5-2)18-24(26)29-27(34)23-19-22(33(36)37)7-9-25(23)31-12-10-20(3)11-13-31/h6-9,18-20H,4-5,10-17H2,1-3H3,(H,29,34)