methyl 4-(4-methylpiperazin-1-yl)-3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-(4-methylpiperazino)-3-[(3-nitro-4-pyrrolidino-benzoyl)amino]benzoic acid methyl ester Formula: C24H29N5O5 MolecularWeight: 467.51756

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O5/c1-26-11-13-28(14-12-26)20-7-6-18(24(31)34-2)15-19(20)25-23(30)17-5-8-21(22(16-17)29(32)33)27-9-3-4-10-27/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,25,30)