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

Systemtic Name: methyl 3-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(2-morpholino-5-nitro-benzoyl)amino]benzoate CAS Name: 3-[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(2-morpholino-5-nitro-benzoyl)amino]benzoic acid methyl ester Formula: C30H33N5O6 MolecularWeight: 559.61292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=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)CC3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C30H33N5O6/c1-40-30(37)23-7-9-28(33-13-11-32(12-14-33)21-22-5-3-2-4-6-22)26(19-23)31-29(36)25-20-24(35(38)39)8-10-27(25)34-15-17-41-18-16-34/h2-10,19-20H,11-18,21H2,1H3,(H,31,36)