2-(5-bromanyl-2-phenylmethoxy-phenyl)-2-(2-nitrophenoxy)ethanoic acid

Systemtic Name: 2-(5-bromanyl-2-phenylmethoxy-phenyl)-2-(2-nitrophenoxy)ethanoic acid Openeye Name: 2-(2-benzyloxy-5-bromo-phenyl)-2-(2-nitrophenoxy)acetic acid CAS Name: 2-(5-bromo-2-phenylmethoxyphenyl)-2-(2-nitrophenoxy)acetic acid IUPAC Name: 2-(5-bromo-2-phenylmethoxyphenyl)-2-(2-nitrophenoxy)acetic acid Traditional Name: 2-(2-benzoxy-5-bromo-phenyl)-2-(2-nitrophenoxy)acetic acid Formula: C21H16BrNO6 MolecularWeight: 458.25884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C(C(=O)O)OC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C(C(=O)O)OC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H16BrNO6/c22-15-10-11-18(28-13-14-6-2-1-3-7-14)16(12-15)20(21(24)25)29-19-9-5-4-8-17(19)23(26)27/h1-12,20H,13H2,(H,24,25)