(E)-4-oxidanylidene-4-(2,4,4-trimethylpentan-2-ylamino)but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-(2,4,4-trimethylpentan-2-ylamino)but-2-enoic acid Openeye Name: (E)-4-oxo-4-(1,1,3,3-tetramethylbutylamino)but-2-enoic acid CAS Name: (E)-4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)but-2-enoic acid Traditional Name: (E)-4-keto-4-(1,1,3,3-tetramethylbutylamino)but-2-enoic acid Formula: C12H21NO3 MolecularWeight: 227.30004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO3/c1-11(2,3)8-12(4,5)13-9(14)6-7-10(15)16/h6-7H,8H2,1-5H3,(H,13,14)(H,15,16)/b7-6+