[(2R)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[bis(fluoranyl)methylsulfonyl]benzoate

Systemtic Name: [(2R)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: [(1R)-2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid [(2R)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid [(1R)-2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H13ClF2N2O7S MolecularWeight: 462.809126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F

InChI

InChI=1S/C17H13ClF2N2O7S/c1-9(15(23)21-14-8-11(22(25)26)4-7-13(14)18)29-16(24)10-2-5-12(6-3-10)30(27,28)17(19)20/h2-9,17H,1H3,(H,21,23)/t9-/m1/s1