[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(3-methylphenoxy)ethanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(3-methylphenoxy)ethanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-(3-methylphenoxy)acetate CAS Name: 2-(3-methylphenoxy)acetic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-(3-methylphenoxy)acetate Traditional Name: 2-(3-methylphenoxy)acetic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C15H16N2O4 MolecularWeight: 288.29854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C15H16N2O4/c1-10-4-3-5-12(6-10)20-9-15(19)21-8-14(18)13(7-16)11(2)17/h3-6,13,17H,8-9H2,1-2H3/t13-/m0/s1