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

Systemtic Name: (E)-3-[1-(4-cyanophenyl)imidazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(4-cyanophenyl)imidazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[1-(4-cyanophenyl)-4-imidazolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(4-cyanophenyl)imidazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(4-cyanophenyl)imidazol-4-yl]acrylic acid Formula: C13H9N3O2 MolecularWeight: 239.22946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N2C=C(N=C2)C=CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)N2C=C(N=C2)/C=C/C(=O)O

InChI

InChI=1S/C13H9N3O2/c14-7-10-1-4-12(5-2-10)16-8-11(15-9-16)3-6-13(17)18/h1-6,8-9H,(H,17,18)/b6-3+