4-[(E)-1-cyano-2-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)ethenyl]benzoate

Systemtic Name: 4-[(E)-1-cyano-2-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)ethenyl]benzoate Openeye Name: 4-[(E)-2-(4-benzyloxy-5-methoxy-2-nitro-phenyl)-1-cyano-vinyl]benzoate CAS Name: 4-[(E)-1-cyano-2-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)ethenyl]benzoate IUPAC Name: 4-[(E)-1-cyano-2-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(4-benzoxy-5-methoxy-2-nitro-phenyl)-1-cyano-vinyl]benzoate Formula: C24H17N2O6- MolecularWeight: 429.40158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)[O-])[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(/C#N)\C2=CC=C(C=C2)C(=O)[O-])[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C24H18N2O6/c1-31-22-12-19(11-20(14-25)17-7-9-18(10-8-17)24(27)28)21(26(29)30)13-23(22)32-15-16-5-3-2-4-6-16/h2-13H,15H2,1H3,(H,27,28)/p-1/b20-11-