[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C20H20FN3O9S MolecularWeight: 497.450903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H20FN3O9S/c1-31-17-5-3-14(24(27)28)11-16(17)22-19(25)12-33-20(26)13-2-4-15(21)18(10-13)34(29,30)23-6-8-32-9-7-23/h2-5,10-11H,6-9,12H2,1H3,(H,22,25)