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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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