(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C16H21N3O7 MolecularWeight: 367.35384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

CC(C(=O)N1CCOCC1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C16H21N3O7/c1-11(15(21)18-5-8-25-9-6-18)26-16(22)13-10-12(19(23)24)2-3-14(13)17-4-7-20/h2-3,10-11,17,20H,4-9H2,1H3