tert-butyl (E)-2-(3-oxidanylidenebutanoylamino)but-2-enoate; ethanoic acid

Systemtic Name: tert-butyl (E)-2-(3-oxidanylidenebutanoylamino)but-2-enoate; ethanoic acid Openeye Name: acetic acid; tert-butyl (E)-2-(3-oxobutanoylamino)but-2-enoate CAS Name: acetic acid; (E)-2-(1,3-dioxobutylamino)-2-butenoic acid tert-butyl ester IUPAC Name: acetic acid; tert-butyl (E)-2-(3-oxobutanoylamino)but-2-enoate Traditional Name: acetic acid; (E)-2-(acetoacetylamino)but-2-enoic acid tert-butyl ester Formula: C14H23NO6 MolecularWeight: 301.33552

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C(=O)OC(C)(C)C)NC(=O)CC(=O)C.CC(=O)O

Isomeric SMILES

C/C=C(\C(=O)OC(C)(C)C)/NC(=O)CC(=O)C.CC(=O)O

InChI

InChI=1S/C12H19NO4.C2H4O2/c1-6-9(11(16)17-12(3,4)5)13-10(15)7-8(2)14;1-2(3)4/h6H,7H2,1-5H3,(H,13,15);1H3,(H,3,4)/b9-6+;