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

Systemtic Name: methyl 3-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(5-nitro-2-pyrrolidino-benzoyl)amino]benzoic acid methyl ester Formula: C30H31N5O6 MolecularWeight: 557.59704

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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-])N5CCCC5

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-])N5CCCC5

InChI

InChI=1S/C30H31N5O6/c1-41-30(38)22-9-11-27(33-15-17-34(18-16-33)29(37)21-7-3-2-4-8-21)25(19-22)31-28(36)24-20-23(35(39)40)10-12-26(24)32-13-5-6-14-32/h2-4,7-12,19-20H,5-6,13-18H2,1H3,(H,31,36)