3-[1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzoic acid

Systemtic Name: 3-[1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzoic acid Openeye Name: 3-[1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzoic acid CAS Name: 3-[1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzoic acid IUPAC Name: 3-[1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzoic acid Traditional Name: 3-[1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzoic acid Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NC(=N2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NC(=N2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C16H13N3O3/c1-22-14-7-5-13(6-8-14)19-10-17-15(18-19)11-3-2-4-12(9-11)16(20)21/h2-10H,1H3,(H,20,21)