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

Systemtic Name: 3-[5-(3-carboxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]benzoic acid Openeye Name: 3-[5-(3-carboxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]benzoic acid CAS Name: 3-[5-(3-carboxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]benzoic acid IUPAC Name: 3-[5-(3-carboxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]benzoic acid Traditional Name: 3-[5-(3-carboxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]benzoic acid Formula: C22H15N3O4 MolecularWeight: 385.3722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2C3=CC(=CC=C3)C(=O)O)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2C3=CC(=CC=C3)C(=O)O)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C22H15N3O4/c26-21(27)16-8-4-6-14(12-16)19-23-24-20(25(19)18-10-2-1-3-11-18)15-7-5-9-17(13-15)22(28)29/h1-13H,(H,26,27)(H,28,29)