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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C17H23N3O6 MolecularWeight: 365.38102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O6/c1-12(2)10-18-16(21)11-26-17(22)13-3-4-14(15(9-13)20(23)24)19-5-7-25-8-6-19/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,18,21)