4-[(E)-2-[3-chloranyl-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyano-ethenyl]benzoate

Systemtic Name: 4-[(E)-2-[3-chloranyl-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyano-ethenyl]benzoate Openeye Name: 4-[(E)-2-[3-chloro-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyano-vinyl]benzoate CAS Name: 4-[(E)-2-[3-chloro-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyanoethenyl]benzoate IUPAC Name: 4-[(E)-2-[3-chloro-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyanoethenyl]benzoate Traditional Name: 4-[(E)-2-[3-chloro-5-ethoxy-4-(3-nitrobenzyl)oxy-phenyl]-1-cyano-vinyl]benzoate Formula: C25H18ClN2O6- MolecularWeight: 477.87322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19ClN2O6/c1-2-33-23-13-17(10-20(14-27)18-6-8-19(9-7-18)25(29)30)12-22(26)24(23)34-15-16-4-3-5-21(11-16)28(31)32/h3-13H,2,15H2,1H3,(H,29,30)/p-1/b20-10-