(Z)-2,5-dimethyl-5-(3-oxidanylidenebutanoylamino)hex-2-enoic acid

Systemtic Name: (Z)-2,5-dimethyl-5-(3-oxidanylidenebutanoylamino)hex-2-enoic acid Openeye Name: (Z)-2,5-dimethyl-5-(3-oxobutanoylamino)hex-2-enoic acid CAS Name: (Z)-5-(1,3-dioxobutylamino)-2,5-dimethyl-2-hexenoic acid IUPAC Name: (Z)-2,5-dimethyl-5-(3-oxobutanoylamino)hex-2-enoic acid Traditional Name: (Z)-5-(acetoacetylamino)-2,5-dimethyl-hex-2-enoic acid Formula: C12H19NO4 MolecularWeight: 241.28356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC(C)(C)CC=C(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO4/c1-8(11(16)17)5-6-12(3,4)13-10(15)7-9(2)14/h5H,6-7H2,1-4H3,(H,13,15)(H,16,17)/b8-5-