4-[(Z)-1-cyano-2-[3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enyl-phenyl]ethenyl]benzoic acid

Systemtic Name: 4-[(Z)-1-cyano-2-[3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enyl-phenyl]ethenyl]benzoic acid Openeye Name: 4-[(Z)-2-[3-allyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[(Z)-1-cyano-2-[3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]ethenyl]benzoic acid IUPAC Name: 4-[(Z)-1-cyano-2-[3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]ethenyl]benzoic acid Traditional Name: 4-[(Z)-2-[3-allyl-5-methoxy-4-(3-nitrobenzyl)oxy-phenyl]-1-cyano-vinyl]benzoic acid Formula: C27H22N2O6 MolecularWeight: 470.47338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC(=CC=C2)[N+](=O)[O-])CC=C)C=C(C#N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC(=CC=C2)[N+](=O)[O-])CC=C)/C=C(\C#N)/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C27H22N2O6/c1-3-5-22-12-19(13-23(16-28)20-8-10-21(11-9-20)27(30)31)15-25(34-2)26(22)35-17-18-6-4-7-24(14-18)29(32)33/h3-4,6-15H,1,5,17H2,2H3,(H,30,31)/b23-13+