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

Systemtic Name: methyl 2-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-5-morpholino-benzoate CAS Name: 2-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-5-morpholino-benzoic acid methyl ester Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O6/c1-31-22(28)17-13-16(25-8-10-32-11-9-25)5-7-18(17)24-21(27)14-2-6-19(23-15-3-4-15)20(12-14)26(29)30/h2,5-7,12-13,15,23H,3-4,8-11H2,1H3,(H,24,27)