[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2-ethoxyphenyl)-2-propenoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-o-phenetylacrylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H18N2O4 MolecularWeight: 314.33582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C17H18N2O4/c1-3-22-16-7-5-4-6-13(16)8-9-17(21)23-11-15(20)14(10-18)12(2)19/h4-9,14,19H,3,11H2,1-2H3/b9-8+,19-12?/t14-/m0/s1