5-[(4-fluoranyl-3-nitro-phenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid

Systemtic Name: 5-[(4-fluoranyl-3-nitro-phenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid Openeye Name: 5-[(4-fluoro-3-nitro-phenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid CAS Name: 5-[(4-fluoro-3-nitrophenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid IUPAC Name: 5-[(4-fluoro-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid Traditional Name: 5-[(4-fluoro-3-nitro-phenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid Formula: C16H11FN2O7S MolecularWeight: 394.331143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11FN2O7S/c1-8-15(16(20)21)11-6-9(2-5-14(11)26-8)18-27(24,25)10-3-4-12(17)13(7-10)19(22)23/h2-7,18H,1H3,(H,20,21)