[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C17H11NO5 MolecularWeight: 309.27294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H11NO5/c18-8-11-2-1-3-13(6-11)17(20)21-9-14(19)12-4-5-15-16(7-12)23-10-22-15/h1-7H,9-10H2