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

Systemtic Name: methyl 2-morpholin-4-yl-5-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: methyl 2-morpholino-5-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]benzoate CAS Name: 2-(4-morpholinyl)-5-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-morpholin-4-yl-5-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]benzoate Traditional Name: 2-morpholino-5-[(5-nitro-2-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=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)N4CCOCC4

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)N4CCOCC4

InChI

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