3,7-dimethyl-5-nitro-6-oxidanyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 3,7-dimethyl-5-nitro-6-oxidanyl-1-benzofuran-2-carboxylic acid Openeye Name: 6-hydroxy-3,7-dimethyl-5-nitro-benzofuran-2-carboxylic acid CAS Name: 6-hydroxy-3,7-dimethyl-5-nitro-2-benzofurancarboxylic acid IUPAC Name: 6-hydroxy-3,7-dimethyl-5-nitro-1-benzofuran-2-carboxylic acid Traditional Name: 6-hydroxy-3,7-dimethyl-5-nitro-coumarilic acid Formula: C11H9NO6 MolecularWeight: 251.19226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C(=C(C=C12)[N+](=O)[O-])O)C)C(=O)O

Isomeric SMILES

CC1=C(OC2=C(C(=C(C=C12)[N+](=O)[O-])O)C)C(=O)O

InChI

InChI=1S/C11H9NO6/c1-4-6-3-7(12(16)17)8(13)5(2)9(6)18-10(4)11(14)15/h3,13H,1-2H3,(H,14,15)