3-(2,5-dimethoxyphenyl)carbonyl-4,6-dinitro-1-benzofuran-5-olate

Systemtic Name: 3-(2,5-dimethoxyphenyl)carbonyl-4,6-dinitro-1-benzofuran-5-olate Openeye Name: 3-(2,5-dimethoxybenzoyl)-4,6-dinitro-benzofuran-5-olate CAS Name: 3-[(2,5-dimethoxyphenyl)-oxomethyl]-4,6-dinitro-5-benzofuranolate IUPAC Name: 3-(2,5-dimethoxybenzoyl)-4,6-dinitro-1-benzofuran-5-olate Traditional Name: 3-(2,5-dimethoxybenzoyl)-4,6-dinitro-benzofuran-5-olate Formula: C17H11N2O9- MolecularWeight: 387.27724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O9/c1-26-8-3-4-12(27-2)9(5-8)16(20)10-7-28-13-6-11(18(22)23)17(21)15(14(10)13)19(24)25/h3-7,21H,1-2H3/p-1