[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O6/c24-18(14-29-19(25)16-5-4-6-17(13-16)23(26)27)21-15-20(7-2-1-3-8-20)22-9-11-28-12-10-22/h4-6,13H,1-3,7-12,14-15H2,(H,21,24)