[2-[1-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-[1-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-[1-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-[1-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H22FN3O6 MolecularWeight: 431.414283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C21H22FN3O6/c1-14(15-2-4-16(22)5-3-15)23-20(26)13-31-21(27)18-12-17(25(28)29)6-7-19(18)24-8-10-30-11-9-24/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)