3,3-bis(4-methylphenyl)-5,6-dinitro-2-benzofuran-1-one

Systemtic Name: 3,3-bis(4-methylphenyl)-5,6-dinitro-2-benzofuran-1-one Openeye Name: 5,6-dinitro-3,3-bis(p-tolyl)isobenzofuran-1-one CAS Name: 3,3-bis(4-methylphenyl)-5,6-dinitro-1-isobenzofuranone IUPAC Name: 3,3-bis(4-methylphenyl)-5,6-dinitro-2-benzofuran-1-one Traditional Name: 5,6-dinitro-3,3-bis(p-tolyl)phthalide Formula: C22H16N2O6 MolecularWeight: 404.37224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(C3=CC(=C(C=C3C(=O)O2)[N+](=O)[O-])[N+](=O)[O-])C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2(C3=CC(=C(C=C3C(=O)O2)[N+](=O)[O-])[N+](=O)[O-])C4=CC=C(C=C4)C

InChI

InChI=1S/C22H16N2O6/c1-13-3-7-15(8-4-13)22(16-9-5-14(2)6-10-16)18-12-20(24(28)29)19(23(26)27)11-17(18)21(25)30-22/h3-12H,1-2H3