propan-2-yl (E)-2-cyano-2-(3-oxidanylidenepropyl)pent-3-enoate

Systemtic Name: propan-2-yl (E)-2-cyano-2-(3-oxidanylidenepropyl)pent-3-enoate Openeye Name: isopropyl (E)-2-cyano-2-(3-oxopropyl)pent-3-enoate CAS Name: (E)-2-cyano-2-(3-oxopropyl)-3-pentenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-2-cyano-2-(3-oxopropyl)pent-3-enoate Traditional Name: (E)-2-cyano-2-(3-ketopropyl)pent-3-enoic acid isopropyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(CCC=O)(C#N)C(=O)OC(C)C

Isomeric SMILES

C/C=C/C(CCC=O)(C#N)C(=O)OC(C)C

InChI

InChI=1S/C12H17NO3/c1-4-6-12(9-13,7-5-8-14)11(15)16-10(2)3/h4,6,8,10H,5,7H2,1-3H3/b6-4+