5-[(5-nitro-1-benzofuran-3-yl)carbonylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(5-nitro-1-benzofuran-3-yl)carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(5-nitrobenzofuran-3-carbonyl)amino]benzoic acid CAS Name: 2-hydroxy-5-[[(5-nitro-3-benzofuranyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[(5-nitro-1-benzofuran-3-carbonyl)amino]benzoic acid Traditional Name: 2-hydroxy-5-[(5-nitrobenzofuran-3-carbonyl)amino]benzoic acid Formula: C16H10N2O7 MolecularWeight: 342.2598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C2=COC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C2=COC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O)O

InChI

InChI=1S/C16H10N2O7/c19-13-3-1-8(5-11(13)16(21)22)17-15(20)12-7-25-14-4-2-9(18(23)24)6-10(12)14/h1-7,19H,(H,17,20)(H,21,22)