[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C20H26BrN3O6 MolecularWeight: 484.34094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrN3O6/c21-16-5-4-15(12-17(16)24(27)28)19(26)30-13-18(25)22-14-20(6-2-1-3-7-20)23-8-10-29-11-9-23/h4-5,12H,1-3,6-11,13-14H2,(H,22,25)