3-cyanopropyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: 3-cyanopropyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: 3-cyanopropyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid 3-cyanopropyl ester Formula: C14H13NO4 MolecularWeight: 259.25732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)OCCCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)OCCCC#N

InChI

InChI=1S/C14H13NO4/c15-7-1-2-8-17-14(16)6-4-11-3-5-12-13(9-11)19-10-18-12/h3-6,9H,1-2,8,10H2/b6-4+