4-(2-nitro-5-phenyl-4H-1-benzofuran-5-yl)benzoic acid

Systemtic Name: 4-(2-nitro-5-phenyl-4H-1-benzofuran-5-yl)benzoic acid Openeye Name: 4-(2-nitro-5-phenyl-4H-benzofuran-5-yl)benzoic acid CAS Name: 4-(2-nitro-5-phenyl-4H-benzofuran-5-yl)benzoic acid IUPAC Name: 4-(2-nitro-5-phenyl-4H-1-benzofuran-5-yl)benzoic acid Traditional Name: 4-(2-nitro-5-phenyl-4H-benzofuran-5-yl)benzoic acid Formula: C21H15NO5 MolecularWeight: 361.3475

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC1(C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O)OC(=C2)[N+](=O)[O-]

Isomeric SMILES

C1C2=C(C=CC1(C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O)OC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H15NO5/c23-20(24)14-6-8-17(9-7-14)21(16-4-2-1-3-5-16)11-10-18-15(13-21)12-19(27-18)22(25)26/h1-12H,13H2,(H,23,24)