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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-keto-ethyl] ester Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)COC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H16N2O5/c20-9-13-4-3-5-14(8-13)19(23)25-12-18(22)21-10-15-11-24-16-6-1-2-7-17(16)26-15/h1-8,15H,10-12H2,(H,21,22)