[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C22H32N4O7 MolecularWeight: 464.51208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)N3CCOCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)N3CCOCC3

InChI

InChI=1S/C22H32N4O7/c27-11-8-23-19-5-4-17(26(30)31)14-18(19)21(29)33-15-20(28)24-16-22(6-2-1-3-7-22)25-9-12-32-13-10-25/h4-5,14,23,27H,1-3,6-13,15-16H2,(H,24,28)