2-[2,2-dimethyl-3-oxidanyl-6-(trifluoromethylsulfonyl)-3,4-dihydrochromen-4-yl]-4-nitro-3H-isoindol-1-one

Systemtic Name: 2-[2,2-dimethyl-3-oxidanyl-6-(trifluoromethylsulfonyl)-3,4-dihydrochromen-4-yl]-4-nitro-3H-isoindol-1-one Openeye Name: 2-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfonyl)chroman-4-yl]-4-nitro-isoindolin-1-one CAS Name: 2-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfonyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4-nitro-3H-isoindol-1-one IUPAC Name: 2-[3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfonyl)-3,4-dihydrochromen-4-yl]-4-nitro-3H-isoindol-1-one Traditional Name: 2-(3-hydroxy-2,2-dimethyl-6-triflyl-chroman-4-yl)-4-nitro-isoindolin-1-one Formula: C20H17F3N2O7S MolecularWeight: 486.41839

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)C(F)(F)F)N3CC4=C(C3=O)C=CC=C4[N+](=O)[O-])O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)C(F)(F)F)N3CC4=C(C3=O)C=CC=C4[N+](=O)[O-])O)C

InChI

InChI=1S/C20H17F3N2O7S/c1-19(2)17(26)16(24-9-13-11(18(24)27)4-3-5-14(13)25(28)29)12-8-10(6-7-15(12)32-19)33(30,31)20(21,22)23/h3-8,16-17,26H,9H2,1-2H3