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

Systemtic Name: (E)-3-[4-bromanyl-2-(1,2,4-triazol-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-bromo-2-(1,2,4-triazol-1-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-bromo-2-(1,2,4-triazol-1-yl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-bromo-2-(1,2,4-triazol-1-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-bromo-2-(1,2,4-triazol-1-yl)phenyl]acrylic acid Formula: C11H8BrN3O2 MolecularWeight: 294.10412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)N2C=NC=N2)C=CC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)N2C=NC=N2)/C=C/C(=O)O

InChI

InChI=1S/C11H8BrN3O2/c12-9-3-1-8(2-4-11(16)17)10(5-9)15-7-13-6-14-15/h1-7H,(H,16,17)/b4-2+