tert-butyl 2-(3-bromanylpyridin-4-yl)carbonyl-3-cyclopropyl-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 2-(3-bromanylpyridin-4-yl)carbonyl-3-cyclopropyl-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-(3-bromopyridine-4-carbonyl)-3-cyclopropyl-3-oxo-propanoate CAS Name: 2-[(3-bromo-4-pyridinyl)-oxomethyl]-3-cyclopropyl-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-bromopyridine-4-carbonyl)-3-cyclopropyl-3-oxopropanoate Traditional Name: 2-(3-bromoisonicotinoyl)-3-cyclopropyl-3-keto-propionic acid tert-butyl ester Formula: C16H18BrNO4 MolecularWeight: 368.22242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=O)C1CC1)C(=O)C2=C(C=NC=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=O)C1CC1)C(=O)C2=C(C=NC=C2)Br

InChI

InChI=1S/C16H18BrNO4/c1-16(2,3)22-15(21)12(13(19)9-4-5-9)14(20)10-6-7-18-8-11(10)17/h6-9,12H,4-5H2,1-3H3