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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O2/c1-2-11(12(16)17)9-3-5-10(6-4-9)15-8-13-7-14-15/h2-8,11H,1H2,(H,16,17)