(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(2-tert-butylphenoxy)ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(2-tert-butylphenoxy)ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(2-tert-butylphenoxy)acetate CAS Name: 2-(2-tert-butylphenoxy)acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(2-tert-butylphenoxy)acetate Traditional Name: 2-(2-tert-butylphenoxy)acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)COC1=CC=CC=C1C(C)(C)C

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)COC1=CC=CC=C1C(C)(C)C

InChI

InChI=1S/C18H22N2O4/c1-12(20)13(9-19)15(21)10-24-17(22)11-23-16-8-6-5-7-14(16)18(2,3)4/h5-8,13,20H,10-11H2,1-4H3