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

Systemtic Name: 3-(4-bromophenyl)carbonyl-2-methyl-4,6-dinitro-1-benzofuran-5-olate Openeye Name: 3-(4-bromobenzoyl)-2-methyl-4,6-dinitro-benzofuran-5-olate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-2-methyl-4,6-dinitro-5-benzofuranolate IUPAC Name: 3-(4-bromobenzoyl)-2-methyl-4,6-dinitro-1-benzofuran-5-olate Traditional Name: 3-(4-bromobenzoyl)-2-methyl-4,6-dinitro-benzofuran-5-olate Formula: C16H8BrN2O7- MolecularWeight: 420.14792

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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=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H9BrN2O7/c1-7-12(15(20)8-2-4-9(17)5-3-8)13-11(26-7)6-10(18(22)23)16(21)14(13)19(24)25/h2-6,21H,1H3/p-1