methyl 2-[(1-morpholin-4-ylcyclohexyl)methylamino]-5-nitro-benzoate

Systemtic Name: methyl 2-[(1-morpholin-4-ylcyclohexyl)methylamino]-5-nitro-benzoate Openeye Name: methyl 2-[(1-morpholinocyclohexyl)methylamino]-5-nitro-benzoate CAS Name: 2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(1-morpholin-4-ylcyclohexyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(1-morpholinocyclohexyl)methylamino]-5-nitro-benzoic acid methyl ester Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O5/c1-26-18(23)16-13-15(22(24)25)5-6-17(16)20-14-19(7-3-2-4-8-19)21-9-11-27-12-10-21/h5-6,13,20H,2-4,7-12,14H2,1H3