(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3,5-ditert-butyl-2-oxidanyl-benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3,5-ditert-butyl-2-oxidanyl-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3,5-ditert-butyl-2-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-2-hydroxybenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3,5-ditert-butyl-2-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-2-hydroxy-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=CC(=C1O)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=CC(=C1O)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C21H28N2O4/c1-12(23)15(10-22)17(24)11-27-19(26)14-8-13(20(2,3)4)9-16(18(14)25)21(5,6)7/h8-9,15,23,25H,11H2,1-7H3