(E)-3-[3-(1,2,4-triazol-1-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(1,2,4-triazol-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(1,2,4-triazol-1-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(1,2,4-triazol-1-yl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(1,2,4-triazol-1-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(1,2,4-triazol-1-yl)phenyl]acrylic acid Formula: C11H9N3O2 MolecularWeight: 215.20806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=NC=N2)C=CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C=NC=N2)/C=C/C(=O)O

InChI

InChI=1S/C11H9N3O2/c15-11(16)5-4-9-2-1-3-10(6-9)14-8-12-7-13-14/h1-8H,(H,15,16)/b5-4+