(E)-4-oxidanylidene-4-(2-oxidanylpropan-2-ylamino)but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-(2-oxidanylpropan-2-ylamino)but-2-enoic acid Openeye Name: (E)-4-[(1-hydroxy-1-methyl-ethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-(2-hydroxypropan-2-ylamino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(2-hydroxypropan-2-ylamino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(1-hydroxy-1-methyl-ethyl)amino]-4-keto-but-2-enoic acid Formula: C7H11NO4 MolecularWeight: 173.16654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11NO4/c1-7(2,12)8-5(9)3-4-6(10)11/h3-4,12H,1-2H3,(H,8,9)(H,10,11)/b4-3+