tert-butyl 2-[4-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethoxy]-3-cyano-phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[4-[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethoxy]-3-cyano-phenoxy]ethanoate Openeye Name: tert-butyl 2-[4-[2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethoxy]-3-cyano-phenoxy]acetate CAS Name: 2-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]-3-cyanophenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[2-[(5-chloropyridin-2-yl)amino]-2-oxoethoxy]-3-cyanophenoxy]acetate Traditional Name: 2-[4-[2-[(5-chloro-2-pyridyl)amino]-2-keto-ethoxy]-3-cyano-phenoxy]acetic acid tert-butyl ester Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC(=C(C=C1)OCC(=O)NC2=NC=C(C=C2)Cl)C#N

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC(=C(C=C1)OCC(=O)NC2=NC=C(C=C2)Cl)C#N

InChI

InChI=1S/C20H20ClN3O5/c1-20(2,3)29-19(26)12-27-15-5-6-16(13(8-15)9-22)28-11-18(25)24-17-7-4-14(21)10-23-17/h4-8,10H,11-12H2,1-3H3,(H,23,24,25)