[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(3-ethanoylphenoxy)ethanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(3-ethanoylphenoxy)ethanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-(3-acetylphenoxy)acetate CAS Name: 2-(3-acetylphenoxy)acetic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-(3-acetylphenoxy)acetate Traditional Name: 2-(3-acetylphenoxy)acetic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H16N2O5 MolecularWeight: 316.30864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5/c1-10(18)14(7-17)15(20)8-23-16(21)9-22-13-5-3-4-12(6-13)11(2)19/h3-6,14,18H,8-9H2,1-2H3/t14-/m1/s1