[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate CAS Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate Traditional Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)acrylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H16N2O5 MolecularWeight: 316.30864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5/c17-6-1-7-18-15(19)11-23-16(20)5-3-12-2-4-13-14(10-12)22-9-8-21-13/h2-5,10H,1,7-9,11H2,(H,18,19)/b5-3+