[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C16H12BrFN2O5S MolecularWeight: 443.244283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)Br

Isomeric SMILES

C1=CC(=CC=C1SCC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)Br

InChI

InChI=1S/C16H12BrFN2O5S/c17-10-1-4-12(5-2-10)26-9-16(22)25-8-15(21)19-14-7-11(20(23)24)3-6-13(14)18/h1-7H,8-9H2,(H,19,21)