6,7-dimethyl-3-(4-nitrophenyl)-5-oxidanyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 6,7-dimethyl-3-(4-nitrophenyl)-5-oxidanyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-hydroxy-6,7-dimethyl-3-(4-nitrophenyl)benzofuran-2-carboxylic acid CAS Name: 5-hydroxy-6,7-dimethyl-3-(4-nitrophenyl)-2-benzofurancarboxylic acid IUPAC Name: 5-hydroxy-6,7-dimethyl-3-(4-nitrophenyl)-1-benzofuran-2-carboxylic acid Traditional Name: 5-hydroxy-6,7-dimethyl-3-(4-nitrophenyl)coumarilic acid Formula: C17H13NO6 MolecularWeight: 327.28822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C(OC2=C1C)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=C2C(=C(OC2=C1C)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H13NO6/c1-8-9(2)15-12(7-13(8)19)14(16(24-15)17(20)21)10-3-5-11(6-4-10)18(22)23/h3-7,19H,1-2H3,(H,20,21)