pyridin-2-ylmethyl (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate

Systemtic Name: pyridin-2-ylmethyl (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate Openeye Name: 2-pyridylmethyl (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propenoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acrylic acid 2-pyridylmethyl ester Formula: C18H16ClNO4 MolecularWeight: 345.77694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C=CC(=O)OCC3=CC=CC=N3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)/C=C/C(=O)OCC3=CC=CC=N3)Cl)OC1

InChI

InChI=1S/C18H16ClNO4/c19-15-10-13(11-16-18(15)23-9-3-8-22-16)5-6-17(21)24-12-14-4-1-2-7-20-14/h1-2,4-7,10-11H,3,8-9,12H2/b6-5+