2-[[5-(4-fluorophenyl)-1-benzofuran-2-yl]methoxycarbonylamino]-6-nitro-benzoic acid

Systemtic Name: 2-[[5-(4-fluorophenyl)-1-benzofuran-2-yl]methoxycarbonylamino]-6-nitro-benzoic acid Openeye Name: 2-[[5-(4-fluorophenyl)benzofuran-2-yl]methoxycarbonylamino]-6-nitro-benzoic acid CAS Name: 2-[[[5-(4-fluorophenyl)-2-benzofuranyl]methoxy-oxomethyl]amino]-6-nitrobenzoic acid IUPAC Name: 2-[[5-(4-fluorophenyl)-1-benzofuran-2-yl]methoxycarbonylamino]-6-nitrobenzoic acid Traditional Name: 2-[[5-(4-fluorophenyl)benzofuran-2-yl]methoxycarbonylamino]-6-nitro-benzoic acid Formula: C23H15FN2O7 MolecularWeight: 450.372803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)NC(=O)OCC2=CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)NC(=O)OCC2=CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H15FN2O7/c24-16-7-4-13(5-8-16)14-6-9-20-15(10-14)11-17(33-20)12-32-23(29)25-18-2-1-3-19(26(30)31)21(18)22(27)28/h1-11H,12H2,(H,25,29)(H,27,28)