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

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(2-morpholino-5-nitro-benzoyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[(2-morpholino-5-nitro-benzoyl)amino]benzoic acid methyl ester Formula: C25H31N5O6 MolecularWeight: 497.54354

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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-])N4CCOCC4

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C25H31N5O6/c1-3-27-8-10-28(11-9-27)23-6-4-18(25(32)35-2)16-21(23)26-24(31)20-17-19(30(33)34)5-7-22(20)29-12-14-36-15-13-29/h4-7,16-17H,3,8-15H2,1-2H3,(H,26,31)