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

Systemtic Name: (E)-3-[1-(3-oxidanylidenebutyl)imidazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(3-oxobutyl)imidazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[1-(3-oxobutyl)-4-imidazolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(3-oxobutyl)imidazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(3-ketobutyl)imidazol-4-yl]acrylic acid Formula: C10H12N2O3 MolecularWeight: 208.21388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C=C(N=C1)C=CC(=O)O

Isomeric SMILES

CC(=O)CCN1C=C(N=C1)/C=C/C(=O)O

InChI

InChI=1S/C10H12N2O3/c1-8(13)4-5-12-6-9(11-7-12)2-3-10(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15)/b3-2+