[4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl ester IUPAC Name: [4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [4-(difluoromethoxy)-5-methoxy-2-nitro-benzyl] ester Formula: C20H20F2N2O8S MolecularWeight: 486.443206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C20H20F2N2O8S/c1-30-17-10-14(16(24(26)27)11-18(17)32-20(21)22)12-31-19(25)13-4-6-15(7-5-13)33(28,29)23-8-2-3-9-23/h4-7,10-11,20H,2-3,8-9,12H2,1H3