3-(4-methylphenyl)carbonyl-4,6-dinitro-1-benzofuran-5-olate

Systemtic Name: 3-(4-methylphenyl)carbonyl-4,6-dinitro-1-benzofuran-5-olate Openeye Name: 3-(4-methylbenzoyl)-4,6-dinitro-benzofuran-5-olate CAS Name: 3-[(4-methylphenyl)-oxomethyl]-4,6-dinitro-5-benzofuranolate IUPAC Name: 3-(4-methylbenzoyl)-4,6-dinitro-1-benzofuran-5-olate Traditional Name: 4,6-dinitro-3-p-toluoyl-benzofuran-5-olate Formula: C16H9N2O7- MolecularWeight: 341.25186

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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/p-1