[(E)-[cyano(phenyl)methylidene]amino] 3,3-dimethyl-2-oxidanylidene-butanoate

Systemtic Name: [(E)-[cyano(phenyl)methylidene]amino] 3,3-dimethyl-2-oxidanylidene-butanoate Openeye Name: [(E)-[cyano(phenyl)methylene]amino] 3,3-dimethyl-2-oxo-butanoate CAS Name: 3,3-dimethyl-2-oxobutanoic acid [(E)-[cyano(phenyl)methylidene]amino] ester IUPAC Name: [(E)-[cyano(phenyl)methylidene]amino] 3,3-dimethyl-2-oxobutanoate Traditional Name: 2-keto-3,3-dimethyl-butyric acid [(E)-[cyano(phenyl)methylene]amino] ester Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=O)ON=C(C#N)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(=O)C(=O)O/N=C(/C#N)\C1=CC=CC=C1

InChI

InChI=1S/C14H14N2O3/c1-14(2,3)12(17)13(18)19-16-11(9-15)10-7-5-4-6-8-10/h4-8H,1-3H3/b16-11-