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

Systemtic Name: methyl 4-morpholin-4-yl-3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-morpholino-3-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]benzoate CAS Name: 4-(4-morpholinyl)-3-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-morpholino-3-[(3-nitro-4-pyrrolidino-benzoyl)amino]benzoic acid methyl ester Formula: C23H26N4O6 MolecularWeight: 454.47574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O6/c1-32-23(29)17-5-6-19(26-10-12-33-13-11-26)18(14-17)24-22(28)16-4-7-20(21(15-16)27(30)31)25-8-2-3-9-25/h4-7,14-15H,2-3,8-13H2,1H3,(H,24,28)