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

Systemtic Name: propan-2-yl (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-prop-2-enoate Openeye Name: isopropyl (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-acrylic acid isopropyl ester Formula: C16H16ClNO4 MolecularWeight: 321.75554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=CC1=CC2=C(C(=C1)Cl)OCCCO2)C#N

Isomeric SMILES

CC(C)OC(=O)/C(=C/C1=CC2=C(C(=C1)Cl)OCCCO2)/C#N

InChI

InChI=1S/C16H16ClNO4/c1-10(2)22-16(19)12(9-18)6-11-7-13(17)15-14(8-11)20-4-3-5-21-15/h6-8,10H,3-5H2,1-2H3/b12-6+