2-[2-nitro-3-(4-phenylphenyl)-1-benzofuran-5-yl]ethanoic acid

Systemtic Name: 2-[2-nitro-3-(4-phenylphenyl)-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[2-nitro-3-(4-phenylphenyl)benzofuran-5-yl]acetic acid CAS Name: 2-[2-nitro-3-(4-phenylphenyl)-5-benzofuranyl]acetic acid IUPAC Name: 2-[2-nitro-3-(4-phenylphenyl)-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[2-nitro-3-(4-phenylphenyl)benzofuran-5-yl]acetic acid Formula: C22H15NO5 MolecularWeight: 373.3582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(OC4=C3C=C(C=C4)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(OC4=C3C=C(C=C4)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H15NO5/c24-20(25)13-14-6-11-19-18(12-14)21(22(28-19)23(26)27)17-9-7-16(8-10-17)15-4-2-1-3-5-15/h1-12H,13H2,(H,24,25)