4-[3-(5-cyano-4-methyl-2-oxidanyl-6-oxidanylidene-1H-pyridin-3-yl)propoxy]butyl ethanoate

Systemtic Name: 4-[3-(5-cyano-4-methyl-2-oxidanyl-6-oxidanylidene-1H-pyridin-3-yl)propoxy]butyl ethanoate Openeye Name: 4-[3-(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)propoxy]butyl acetate CAS Name: acetic acid 4-[3-(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)propoxy]butyl ester IUPAC Name: 4-[3-(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)propoxy]butyl acetate Traditional Name: acetic acid 4-[3-(5-cyano-2-hydroxy-6-keto-4-methyl-1H-pyridin-3-yl)propoxy]butyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCCOCCCCOC(=O)C)O)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCCOCCCCOC(=O)C)O)C#N

InChI

InChI=1S/C16H22N2O5/c1-11-13(15(20)18-16(21)14(11)10-17)6-5-8-22-7-3-4-9-23-12(2)19/h3-9H2,1-2H3,(H2,18,20,21)