[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H16N2O6 MolecularWeight: 320.29734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C15H16N2O6/c1-20-11-7-10(8-12-14(11)22-6-5-21-12)15(19)23-9-13(18)17-4-2-3-16/h7-8H,2,4-6,9H2,1H3,(H,17,18)