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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(4-chloranyl-2-methyl-phenoxy)ethanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-(4-chloro-2-methyl-phenoxy)acetate CAS Name: 2-(4-chloro-2-methylphenoxy)acetic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-(4-chloro-2-methylphenoxy)acetate Traditional Name: 2-(4-chloro-2-methyl-phenoxy)acetic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C15H15ClN2O4 MolecularWeight: 322.7436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O4/c1-9-5-11(16)3-4-14(9)21-8-15(20)22-7-13(19)12(6-17)10(2)18/h3-5,12,18H,7-8H2,1-2H3/t12-/m1/s1