(E)-3-[1-(4-oxidanylidenepentan-2-yl)imidazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-(4-oxidanylidenepentan-2-yl)imidazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(1-methyl-3-oxo-butyl)imidazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[1-(4-oxopentan-2-yl)-4-imidazolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(4-oxopentan-2-yl)imidazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(3-keto-1-methyl-butyl)imidazol-4-yl]acrylic acid Formula: C11H14N2O3 MolecularWeight: 222.24046

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C)N1C=C(N=C1)C=CC(=O)O

Isomeric SMILES

CC(CC(=O)C)N1C=C(N=C1)/C=C/C(=O)O

InChI

InChI=1S/C11H14N2O3/c1-8(5-9(2)14)13-6-10(12-7-13)3-4-11(15)16/h3-4,6-8H,5H2,1-2H3,(H,15,16)/b4-3+