methyl 3-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-(difluoromethylthio)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(difluoromethylthio)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H12F2N2O5S MolecularWeight: 382.338686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)SC(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)SC(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12F2N2O5S/c1-25-15(22)10-6-9(7-12(8-10)20(23)24)14(21)19-11-2-4-13(5-3-11)26-16(17)18/h2-8,16H,1H3,(H,19,21)