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

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 4-chloro-3-morpholinosulfonyl-benzoate CAS Name: 4-chloro-3-(4-morpholinylsulfonyl)benzoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-chloro-3-morpholinosulfonyl-benzoic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C19H17ClFN3O8S MolecularWeight: 501.869983

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClFN3O8S/c20-14-3-1-12(9-17(14)33(29,30)23-5-7-31-8-6-23)19(26)32-11-18(25)22-13-2-4-15(21)16(10-13)24(27)28/h1-4,9-10H,5-8,11H2,(H,22,25)