O1-methyl O3-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester O1-methyl ester Formula: C22H29N3O8 MolecularWeight: 463.48096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2(CCCCC2)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2(CCCCC2)N3CCOCC3

InChI

InChI=1S/C22H29N3O8/c1-31-20(27)16-11-17(13-18(12-16)25(29)30)21(28)33-14-19(26)23-15-22(5-3-2-4-6-22)24-7-9-32-10-8-24/h11-13H,2-10,14-15H2,1H3,(H,23,26)