2-methyl-N-[2-methyl-3-(2-oxidanylpropan-2-yl)-1-benzofuran-7-yl]-6-nitro-benzamide

Systemtic Name: 2-methyl-N-[2-methyl-3-(2-oxidanylpropan-2-yl)-1-benzofuran-7-yl]-6-nitro-benzamide Openeye Name: N-[3-(1-hydroxy-1-methyl-ethyl)-2-methyl-benzofuran-7-yl]-2-methyl-6-nitro-benzamide CAS Name: N-[3-(2-hydroxypropan-2-yl)-2-methyl-7-benzofuranyl]-2-methyl-6-nitrobenzamide IUPAC Name: N-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]-2-methyl-6-nitrobenzamide Traditional Name: N-[3-(1-hydroxy-1-methyl-ethyl)-2-methyl-benzofuran-7-yl]-2-methyl-6-nitro-benzamide Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)NC2=CC=CC3=C2OC(=C3C(C)(C)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)NC2=CC=CC3=C2OC(=C3C(C)(C)O)C

InChI

InChI=1S/C20H20N2O5/c1-11-7-5-10-15(22(25)26)16(11)19(23)21-14-9-6-8-13-17(20(3,4)24)12(2)27-18(13)14/h5-10,24H,1-4H3,(H,21,23)