2-[2-methyl-3-(2-oxidanylpropan-2-yl)-1-benzofuran-7-yl]-4-nitro-3-oxidanyl-3H-isoindol-1-one

Systemtic Name: 2-[2-methyl-3-(2-oxidanylpropan-2-yl)-1-benzofuran-7-yl]-4-nitro-3-oxidanyl-3H-isoindol-1-one Openeye Name: 3-hydroxy-2-[3-(1-hydroxy-1-methyl-ethyl)-2-methyl-benzofuran-7-yl]-4-nitro-isoindolin-1-one CAS Name: 3-hydroxy-2-[3-(2-hydroxypropan-2-yl)-2-methyl-7-benzofuranyl]-4-nitro-3H-isoindol-1-one IUPAC Name: 3-hydroxy-2-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]-4-nitro-3H-isoindol-1-one Traditional Name: 3-hydroxy-2-[3-(1-hydroxy-1-methyl-ethyl)-2-methyl-benzofuran-7-yl]-4-nitro-isoindolin-1-one Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C(=CC=C2)N3C(C4=C(C3=O)C=CC=C4[N+](=O)[O-])O)C(C)(C)O

Isomeric SMILES

CC1=C(C2=C(O1)C(=CC=C2)N3C(C4=C(C3=O)C=CC=C4[N+](=O)[O-])O)C(C)(C)O

InChI

InChI=1S/C20H18N2O6/c1-10-16(20(2,3)25)12-7-5-9-14(17(12)28-10)21-18(23)11-6-4-8-13(22(26)27)15(11)19(21)24/h4-9,19,24-25H,1-3H3