6-(1-benzofuran-2-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-nitro-benzoic acid

Systemtic Name: 6-(1-benzofuran-2-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-nitro-benzoic acid Openeye Name: 6-(benzofuran-2-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-nitro-benzoic acid CAS Name: 6-[[2-benzofuranylmethoxy(oxo)methyl]amino]-3-(4-fluorophenyl)-2-nitrobenzoic acid IUPAC Name: 6-(1-benzofuran-2-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-nitrobenzoic acid Traditional Name: 6-(benzofuran-2-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-nitro-benzoic acid Formula: C23H15FN2O7 MolecularWeight: 450.372803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)COC(=O)NC3=C(C(=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)COC(=O)NC3=C(C(=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-])C(=O)O

InChI

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