[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-(3-isopropoxypropylamino)-2-oxo-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-(3-isopropoxypropylamino)-2-keto-ethyl] ester Formula: C19H27N3O7 MolecularWeight: 409.43358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)COC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OCCCNC(=O)COC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O7/c1-14(2)28-9-3-6-20-18(23)13-29-19(24)15-4-5-16(17(12-15)22(25)26)21-7-10-27-11-8-21/h4-5,12,14H,3,6-11,13H2,1-2H3,(H,20,23)