3-[[2-chloranyl-4-[2-cyano-2-(3-nitrophenyl)ethenyl]-6-ethoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-chloranyl-4-[2-cyano-2-(3-nitrophenyl)ethenyl]-6-ethoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-chloro-4-[2-cyano-2-(3-nitrophenyl)vinyl]-6-ethoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[2-chloro-4-[2-cyano-2-(3-nitrophenyl)ethenyl]-6-ethoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-chloro-4-[2-cyano-2-(3-nitrophenyl)ethenyl]-6-ethoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[2-chloro-4-[2-cyano-2-(3-nitrophenyl)vinyl]-6-ethoxy-phenoxy]methyl]benzoic acid Formula: C25H19ClN2O6 MolecularWeight: 478.88116

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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-])Cl)OCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H19ClN2O6/c1-2-33-23-12-17(10-20(14-27)18-6-4-8-21(13-18)28(31)32)11-22(26)24(23)34-15-16-5-3-7-19(9-16)25(29)30/h3-13H,2,15H2,1H3,(H,29,30)