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

Systemtic Name: methyl 3-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(2-morpholino-5-nitro-benzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(2-morpholino-5-nitro-benzoyl)amino]benzoic acid methyl ester Formula: C30H31N5O7 MolecularWeight: 573.59644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C30H31N5O7/c1-41-30(38)22-7-9-27(32-11-13-34(14-12-32)29(37)21-5-3-2-4-6-21)25(19-22)31-28(36)24-20-23(35(39)40)8-10-26(24)33-15-17-42-18-16-33/h2-10,19-20H,11-18H2,1H3,(H,31,36)