(4-methoxyphenyl)-(2-methyl-4,6-dinitro-5-oxidanyl-1-benzofuran-3-yl)methanone

Systemtic Name: (4-methoxyphenyl)-(2-methyl-4,6-dinitro-5-oxidanyl-1-benzofuran-3-yl)methanone Openeye Name: (5-hydroxy-2-methyl-4,6-dinitro-benzofuran-3-yl)-(4-methoxyphenyl)methanone CAS Name: (5-hydroxy-2-methyl-4,6-dinitro-3-benzofuranyl)-(4-methoxyphenyl)methanone IUPAC Name: (5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone Traditional Name: (5-hydroxy-2-methyl-4,6-dinitro-benzofuran-3-yl)-(4-methoxyphenyl)methanone Formula: C17H12N2O8 MolecularWeight: 372.28578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O8/c1-8-13(16(20)9-3-5-10(26-2)6-4-9)14-12(27-8)7-11(18(22)23)17(21)15(14)19(24)25/h3-7,21H,1-2H3