[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(2,5-dimethylphenoxy)ethanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(2,5-dimethylphenoxy)ethanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-(2,5-dimethylphenoxy)acetate CAS Name: 2-(2,5-dimethylphenoxy)acetic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-(2,5-dimethylphenoxy)acetate Traditional Name: 2-(2,5-dimethylphenoxy)acetic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4/c1-10-4-5-11(2)15(6-10)21-9-16(20)22-8-14(19)13(7-17)12(3)18/h4-6,13,18H,8-9H2,1-3H3/t13-/m1/s1