1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-phenyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-phenyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-phenyl-triazole-4-carboxylic acid CAS Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-phenyl-4-triazolecarboxylic acid IUPAC Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-phenyltriazole-4-carboxylic acid Traditional Name: 1-[3-(4-chlorophenyl)anthranil-5-yl]-5-phenyl-triazole-4-carboxylic acid Formula: C22H13ClN4O3 MolecularWeight: 416.81662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NN2C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NN2C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C22H13ClN4O3/c23-15-8-6-14(7-9-15)21-17-12-16(10-11-18(17)25-30-21)27-20(13-4-2-1-3-5-13)19(22(28)29)24-26-27/h1-12H,(H,28,29)