[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C21H18N2O6/c22-8-3-9-23-19(24)13-29-21(26)16-5-2-1-4-15(16)20(25)14-6-7-17-18(12-14)28-11-10-27-17/h1-2,4-7,12H,3,9-11,13H2,(H,23,24)