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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(2,4,6-trimethylphenoxy)ethanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-(2,4,6-trimethylphenoxy)acetate CAS Name: 2-(2,4,6-trimethylphenoxy)acetic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-(2,4,6-trimethylphenoxy)acetate Traditional Name: 2-(2,4,6-trimethylphenoxy)acetic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c1-10-5-11(2)17(12(3)6-10)23-9-16(21)22-8-15(20)14(7-18)13(4)19/h5-6,14,19H,8-9H2,1-4H3/t14-/m1/s1