tert-butyl (2E)-2-cyano-2-(3,4-dimethyl-5-oxidanylidene-pyrrol-2-ylidene)ethanoate

Systemtic Name: tert-butyl (2E)-2-cyano-2-(3,4-dimethyl-5-oxidanylidene-pyrrol-2-ylidene)ethanoate Openeye Name: tert-butyl (2E)-2-cyano-2-(3,4-dimethyl-5-oxo-pyrrol-2-ylidene)acetate CAS Name: (2E)-2-cyano-2-(3,4-dimethyl-5-oxo-2-pyrrolylidene)acetic acid tert-butyl ester IUPAC Name: tert-butyl (2E)-2-cyano-2-(3,4-dimethyl-5-oxopyrrol-2-ylidene)acetate Traditional Name: (2E)-2-cyano-2-(5-keto-3,4-dimethyl-3-pyrrolin-2-ylidene)acetic acid tert-butyl ester Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC1=C(C#N)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC\1=C(C(=O)N/C1=C(\C#N)/C(=O)OC(C)(C)C)C

InChI

InChI=1S/C13H16N2O3/c1-7-8(2)11(16)15-10(7)9(6-14)12(17)18-13(3,4)5/h1-5H3,(H,15,16)/b10-9+