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

Systemtic Name: 4-[2-[3-chloranyl-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[3-chloro-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[3-chloro-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[3-chloro-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[3-chloro-5-ethoxy-4-(3-nitrobenzyl)oxy-phenyl]-1-cyano-vinyl]benzoic acid Formula: C25H19ClN2O6 MolecularWeight: 478.88116

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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)