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

Systemtic Name: 3-(4-methoxyphenyl)carbonyl-4,6-dinitro-1-benzofuran-5-olate Openeye Name: 3-(4-methoxybenzoyl)-4,6-dinitro-benzofuran-5-olate CAS Name: 3-[(4-methoxyphenyl)-oxomethyl]-4,6-dinitro-5-benzofuranolate IUPAC Name: 3-(4-methoxybenzoyl)-4,6-dinitro-1-benzofuran-5-olate Traditional Name: 4,6-dinitro-3-p-anisoyl-benzofuran-5-olate Formula: C16H9N2O8- MolecularWeight: 357.25126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C(=C3)[N+](=O)[O-])[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C(=C3)[N+](=O)[O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H10N2O8/c1-25-9-4-2-8(3-5-9)15(19)10-7-26-12-6-11(17(21)22)16(20)14(13(10)12)18(23)24/h2-7,20H,1H3/p-1