2-methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-olate

Systemtic Name: 2-methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-olate Openeye Name: 3-benzoyl-2-methyl-4,6-dinitro-benzofuran-5-olate CAS Name: 3-benzoyl-2-methyl-4,6-dinitro-5-benzofuranolate IUPAC Name: 3-benzoyl-2-methyl-4,6-dinitro-1-benzofuran-5-olate Traditional Name: 3-benzoyl-2-methyl-4,6-dinitro-benzofuran-5-olate Formula: C16H9N2O7- MolecularWeight: 341.25186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=C(C(=C2[N+](=O)[O-])[O-])[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(O1)C=C(C(=C2[N+](=O)[O-])[O-])[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

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