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

Systemtic Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-cyclopropyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-cyclopropyl-triazole-4-carboxylic acid CAS Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-cyclopropyl-4-triazolecarboxylic acid IUPAC Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-cyclopropyltriazole-4-carboxylic acid Traditional Name: 1-[3-(4-chlorophenyl)anthranil-5-yl]-5-cyclopropyl-triazole-4-carboxylic acid Formula: C19H13ClN4O3 MolecularWeight: 380.78452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(N=NN2C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)Cl)C(=O)O

Isomeric SMILES

C1CC1C2=C(N=NN2C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C19H13ClN4O3/c20-12-5-3-11(4-6-12)18-14-9-13(7-8-15(14)22-27-18)24-17(10-1-2-10)16(19(25)26)21-23-24/h3-10H,1-2H2,(H,25,26)