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

Systemtic Name: 3-[1-(4-carboxyphenyl)-1,2,4-triazol-3-yl]benzoic acid Openeye Name: 3-[1-(4-carboxyphenyl)-1,2,4-triazol-3-yl]benzoic acid CAS Name: 3-[1-(4-carboxyphenyl)-1,2,4-triazol-3-yl]benzoic acid IUPAC Name: 3-[1-(4-carboxyphenyl)-1,2,4-triazol-3-yl]benzoic acid Traditional Name: 3-[1-(4-carboxyphenyl)-1,2,4-triazol-3-yl]benzoic acid Formula: C16H11N3O4 MolecularWeight: 309.27624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=NN(C=N2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=NN(C=N2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H11N3O4/c20-15(21)10-4-6-13(7-5-10)19-9-17-14(18-19)11-2-1-3-12(8-11)16(22)23/h1-9H,(H,20,21)(H,22,23)