[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C14H14N2O5/c15-4-1-5-16-13(17)9-21-14(18)10-2-3-11-12(8-10)20-7-6-19-11/h2-3,8H,1,5-7,9H2,(H,16,17)