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

Systemtic Name: (E)-4-[4-(1,2,4-triazol-1-yl)phenyl]but-3-enoic acid Openeye Name: (E)-4-[4-(1,2,4-triazol-1-yl)phenyl]but-3-enoic acid CAS Name: (E)-4-[4-(1,2,4-triazol-1-yl)phenyl]-3-butenoic acid IUPAC Name: (E)-4-[4-(1,2,4-triazol-1-yl)phenyl]but-3-enoic acid Traditional Name: (E)-4-[4-(1,2,4-triazol-1-yl)phenyl]but-3-enoic acid Formula: C12H11N3O2 MolecularWeight: 229.23464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CCC(=O)O)N2C=NC=N2

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O2/c16-12(17)3-1-2-10-4-6-11(7-5-10)15-9-13-8-14-15/h1-2,4-9H,3H2,(H,16,17)/b2-1+