[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-(4-chloro-2,6-dimethyl-phenoxy)acetate CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)acetic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)acetic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)OCC(=O)C(C#N)C(=N)C)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)OCC(=O)[C@H](C#N)C(=N)C)C)Cl

InChI

InChI=1S/C16H17ClN2O4/c1-9-4-12(17)5-10(2)16(9)23-8-15(21)22-7-14(20)13(6-18)11(3)19/h4-5,13,19H,7-8H2,1-3H3/t13-/m1/s1