4-[1-cyano-2-[4-[(3-nitrophenyl)methoxy]phenyl]ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-[4-[(3-nitrophenyl)methoxy]phenyl]ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-[4-[(3-nitrophenyl)methoxy]phenyl]vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[4-[(3-nitrophenyl)methoxy]phenyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-[4-[(3-nitrophenyl)methoxy]phenyl]ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-[4-(3-nitrobenzyl)oxyphenyl]vinyl]benzoic acid Formula: C23H16N2O5 MolecularWeight: 400.38354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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