[2-(2-fluorophenyl)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-(2-fluorophenyl)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-(2-fluorophenyl)-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-(2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-fluorophenyl)-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-(2-fluorophenyl)-2-keto-ethyl] ester Formula: C16H12FNO5S MolecularWeight: 349.333583

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C16H12FNO5S/c1-24-15-7-6-10(8-13(15)18(21)22)16(20)23-9-14(19)11-4-2-3-5-12(11)17/h2-8H,9H2,1H3