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

Systemtic Name: 3-[[4-[2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[2-cyano-2-(3-nitrophenyl)vinyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[2-cyano-2-(3-nitrophenyl)vinyl]phenoxy]methyl]benzoic acid Formula: C23H16N2O5 MolecularWeight: 400.38354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16N2O5/c24-14-20(18-4-2-6-21(13-18)25(28)29)11-16-7-9-22(10-8-16)30-15-17-3-1-5-19(12-17)23(26)27/h1-13H,15H2,(H,26,27)