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

Systemtic Name: 3-[3-(3-carboxyphenyl)-1H-1,2,4-triazol-5-yl]benzoic acid Openeye Name: 3-[3-(3-carboxyphenyl)-1H-1,2,4-triazol-5-yl]benzoic acid CAS Name: 3-[3-(3-carboxyphenyl)-1H-1,2,4-triazol-5-yl]benzoic acid IUPAC Name: 3-[3-(3-carboxyphenyl)-1H-1,2,4-triazol-5-yl]benzoic acid Traditional Name: 3-[3-(3-carboxyphenyl)-1H-1,2,4-triazol-5-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=NC(=NN2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=NC(=NN2)C3=CC(=CC=C3)C(=O)O

InChI

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