[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(4-ethoxyphenoxy)ethanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(4-ethoxyphenoxy)ethanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-(4-ethoxyphenoxy)acetate CAS Name: 2-(4-ethoxyphenoxy)acetic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-(4-ethoxyphenoxy)acetate Traditional Name: 2-(4-ethoxyphenoxy)acetic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C16H18N2O5/c1-3-21-12-4-6-13(7-5-12)22-10-16(20)23-9-15(19)14(8-17)11(2)18/h4-7,14,18H,3,9-10H2,1-2H3/t14-/m0/s1