4-[(1,5-diphenyl-1,2,3-triazol-4-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(1,5-diphenyl-1,2,3-triazol-4-yl)carbonylamino]benzoic acid Openeye Name: 4-[(1,5-diphenyltriazole-4-carbonyl)amino]benzoic acid CAS Name: 4-[[(1,5-diphenyl-4-triazolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(1,5-diphenyltriazole-4-carbonyl)amino]benzoic acid Traditional Name: 4-[(1,5-diphenyltriazole-4-carbonyl)amino]benzoic acid Formula: C22H16N4O3 MolecularWeight: 384.38744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NN2C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NN2C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H16N4O3/c27-21(23-17-13-11-16(12-14-17)22(28)29)19-20(15-7-3-1-4-8-15)26(25-24-19)18-9-5-2-6-10-18/h1-14H,(H,23,27)(H,28,29)