4-[[4-[2-cyano-2-(3-nitrophenyl)ethenyl]-2-ethoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[2-cyano-2-(3-nitrophenyl)ethenyl]-2-ethoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[2-cyano-2-(3-nitrophenyl)vinyl]-2-ethoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[2-cyano-2-(3-nitrophenyl)ethenyl]-2-ethoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[2-cyano-2-(3-nitrophenyl)ethenyl]-2-ethoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[2-cyano-2-(3-nitrophenyl)vinyl]-2-ethoxy-phenoxy]methyl]benzoic acid Formula: C25H20N2O6 MolecularWeight: 444.4361

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C2=CC(=CC=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C2=CC(=CC=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H20N2O6/c1-2-32-24-13-18(12-21(15-26)20-4-3-5-22(14-20)27(30)31)8-11-23(24)33-16-17-6-9-19(10-7-17)25(28)29/h3-14H,2,16H2,1H3,(H,28,29)