2-[4-(5-methyl-2H-1,2,3-triazol-4-yl)phenyl]benzoic acid

Systemtic Name: 2-[4-(5-methyl-2H-1,2,3-triazol-4-yl)phenyl]benzoic acid Openeye Name: 2-[4-(5-methyl-2H-triazol-4-yl)phenyl]benzoic acid CAS Name: 2-[4-(5-methyl-2H-triazol-4-yl)phenyl]benzoic acid IUPAC Name: 2-[4-(5-methyl-2H-triazol-4-yl)phenyl]benzoic acid Traditional Name: 2-[4-(5-methyl-2H-triazol-4-yl)phenyl]benzoic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNN=C1C2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=NNN=C1C2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H13N3O2/c1-10-15(18-19-17-10)12-8-6-11(7-9-12)13-4-2-3-5-14(13)16(20)21/h2-9H,1H3,(H,20,21)(H,17,18,19)