4-[[2-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid Formula: C17H14N4O3 MolecularWeight: 322.31806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NN2C=NN=C2)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C=N/N2C=NN=C2)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H14N4O3/c22-17(23)14-7-5-13(6-8-14)10-24-16-4-2-1-3-15(16)9-20-21-11-18-19-12-21/h1-9,11-12H,10H2,(H,22,23)/b20-9+