[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-(5-chloro-2-fluoro-anilino)-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(5-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C16H12ClFN2O5S MolecularWeight: 398.793283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)F

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)F

InChI

InChI=1S/C16H12ClFN2O5S/c17-10-1-6-13(18)14(7-10)19-15(21)8-25-16(22)9-26-12-4-2-11(3-5-12)20(23)24/h1-7H,8-9H2,(H,19,21)