(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-11(15(20)18-6-8-24-9-7-18)25-16(21)12-4-5-13(17(2)3)14(10-12)19(22)23/h4-5,10-11H,6-9H2,1-3H3