[2-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-[4-(difluoromethoxy)-3-methoxy-phenyl]-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(difluoromethoxy)-3-methoxyphenyl]-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-[4-(difluoromethoxy)-3-methoxy-phenyl]-2-keto-ethyl] ester Formula: C21H20F2N2O7 MolecularWeight: 450.389506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F2N2O7/c1-30-19-10-13(4-7-18(19)32-21(22)23)17(26)12-31-20(27)15-11-14(25(28)29)5-6-16(15)24-8-2-3-9-24/h4-7,10-11,21H,2-3,8-9,12H2,1H3