[4-[(3E,5E)-7-cyanohepta-1,3,5-trien-4-yl]phenyl] 4-oxidanylbenzoate

Systemtic Name: [4-[(3E,5E)-7-cyanohepta-1,3,5-trien-4-yl]phenyl] 4-oxidanylbenzoate Openeye Name: [4-[(1E)-1-[(E)-3-cyanoprop-1-enyl]buta-1,3-dienyl]phenyl] 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [4-[(3E,5E)-7-cyanohepta-1,3,5-trien-4-yl]phenyl] ester IUPAC Name: [4-[(3E,5E)-7-cyanohepta-1,3,5-trien-4-yl]phenyl] 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [4-[(1E)-1-[(E)-3-cyanoprop-1-enyl]buta-1,3-dienyl]phenyl] ester Formula: C21H17NO3 MolecularWeight: 331.36458

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Descriptors Computed from Structure

Canonical SMILES:

C=CC=C(C=CCC#N)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)O

Isomeric SMILES

C=C/C=C(\C=C\CC#N)/C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C21H17NO3/c1-2-5-16(6-3-4-15-22)17-9-13-20(14-10-17)25-21(24)18-7-11-19(23)12-8-18/h2-3,5-14,23H,1,4H2/b6-3+,16-5+