(4-aminocarbonyl-2-nitro-phenyl)methyl 4-[bis(fluoranyl)methylsulfanyl]benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-[bis(fluoranyl)methylsulfanyl]benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-(difluoromethylsulfanyl)benzoate CAS Name: 4-(difluoromethylthio)benzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-(difluoromethylsulfanyl)benzoate Traditional Name: 4-(difluoromethylthio)benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C16H12F2N2O5S MolecularWeight: 382.338686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])SC(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])SC(F)F

InChI

InChI=1S/C16H12F2N2O5S/c17-16(18)26-12-5-3-9(4-6-12)15(22)25-8-11-2-1-10(14(19)21)7-13(11)20(23)24/h1-7,16H,8H2,(H2,19,21)