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

Systemtic Name: methyl 2-morpholin-4-yl-5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: methyl 2-morpholino-5-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]benzoate CAS Name: 2-(4-morpholinyl)-5-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-morpholin-4-yl-5-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoate Traditional Name: 2-morpholino-5-[(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=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

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

InChI

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