tert-butyl 4-[3-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)pyrrol-1-yl]benzoate

Systemtic Name: tert-butyl 4-[3-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)pyrrol-1-yl]benzoate Openeye Name: tert-butyl 4-[3-(1-cyano-2-ethoxy-2-oxo-ethyl)pyrrol-1-yl]benzoate CAS Name: 4-[3-(1-cyano-2-ethoxy-2-oxoethyl)-1-pyrrolyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(1-cyano-2-ethoxy-2-oxoethyl)pyrrol-1-yl]benzoate Traditional Name: 4-[3-(1-cyano-2-ethoxy-2-keto-ethyl)pyrrol-1-yl]benzoic acid tert-butyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=CN(C=C1)C2=CC=C(C=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C#N)C1=CN(C=C1)C2=CC=C(C=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H22N2O4/c1-5-25-19(24)17(12-21)15-10-11-22(13-15)16-8-6-14(7-9-16)18(23)26-20(2,3)4/h6-11,13,17H,5H2,1-4H3