tert-butyl 2-cyano-4-[2-(1,3-dioxolan-2-yl)phenyl]-3-oxidanylidene-butanoate

Systemtic Name: tert-butyl 2-cyano-4-[2-(1,3-dioxolan-2-yl)phenyl]-3-oxidanylidene-butanoate Openeye Name: tert-butyl 2-cyano-4-[2-(1,3-dioxolan-2-yl)phenyl]-3-oxo-butanoate CAS Name: 2-cyano-4-[2-(1,3-dioxolan-2-yl)phenyl]-3-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-4-[2-(1,3-dioxolan-2-yl)phenyl]-3-oxobutanoate Traditional Name: 2-cyano-4-[2-(1,3-dioxolan-2-yl)phenyl]-3-keto-butyric acid tert-butyl ester Formula: C18H21NO5 MolecularWeight: 332.355695

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C#N)C(=O)CC1=CC=CC=C1C2OCCO2

Isomeric SMILES

CC(C)(C)OC(=O)C(C#N)[13C](=O)CC1=CC=CC=C1C2OCCO2

InChI

InChI=1S/C18H21NO5/c1-18(2,3)24-16(21)14(11-19)15(20)10-12-6-4-5-7-13(12)17-22-8-9-23-17/h4-7,14,17H,8-10H2,1-3H3/i15+1