[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C18H13NO5 MolecularWeight: 323.29952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H13NO5/c19-10-12-1-3-13(4-2-12)18(21)24-11-15(20)14-5-6-16-17(9-14)23-8-7-22-16/h1-6,9H,7-8,11H2