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

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C20H26ClN3O6 MolecularWeight: 439.88994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O6/c21-15-4-5-16(17(12-15)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)