[4-(2-cyano-2-phenyl-ethenyl)-2-methoxy-phenyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [4-(2-cyano-2-phenyl-ethenyl)-2-methoxy-phenyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [4-(2-cyano-2-phenyl-vinyl)-2-methoxy-phenyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [4-(2-cyano-2-phenylethenyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2-cyano-2-phenylethenyl)-2-methoxyphenyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [4-(2-cyano-2-phenyl-vinyl)-2-methoxy-phenyl] ester Formula: C25H19NO5 MolecularWeight: 413.42206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC=C2)OC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC=C2)OC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C25H19NO5/c1-28-23-14-17(13-19(15-26)18-7-3-2-4-8-18)11-12-22(23)31-25(27)24-16-29-20-9-5-6-10-21(20)30-24/h2-14,24H,16H2,1H3