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

Systemtic Name: 3-[(5-nitro-1-benzofuran-3-yl)carbonylamino]benzoic acid Openeye Name: 3-[(5-nitrobenzofuran-3-carbonyl)amino]benzoic acid CAS Name: 3-[[(5-nitro-3-benzofuranyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(5-nitro-1-benzofuran-3-carbonyl)amino]benzoic acid Traditional Name: 3-[(5-nitrobenzofuran-3-carbonyl)amino]benzoic acid Formula: C16H10N2O6 MolecularWeight: 326.2604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N2O6/c19-15(17-10-3-1-2-9(6-10)16(20)21)13-8-24-14-5-4-11(18(22)23)7-12(13)14/h1-8H,(H,17,19)(H,20,21)