(4,6-dinitro-5-oxidanyl-1-benzofuran-3-yl)-(4-methylphenyl)methanone

Systemtic Name: (4,6-dinitro-5-oxidanyl-1-benzofuran-3-yl)-(4-methylphenyl)methanone Openeye Name: (5-hydroxy-4,6-dinitro-benzofuran-3-yl)-(p-tolyl)methanone CAS Name: (5-hydroxy-4,6-dinitro-3-benzofuranyl)-(4-methylphenyl)methanone IUPAC Name: (5-hydroxy-4,6-dinitro-1-benzofuran-3-yl)-(4-methylphenyl)methanone Traditional Name: (5-hydroxy-4,6-dinitro-benzofuran-3-yl)-(p-tolyl)methanone Formula: C16H10N2O7 MolecularWeight: 342.2598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C16H10N2O7/c1-8-2-4-9(5-3-8)15(19)10-7-25-12-6-11(17(21)22)16(20)14(13(10)12)18(23)24/h2-7,20H,1H3