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

Systemtic Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-propyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-propyl-triazole-4-carboxylic acid CAS Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-propyl-4-triazolecarboxylic acid IUPAC Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-propyltriazole-4-carboxylic acid Traditional Name: 1-[3-(4-chlorophenyl)anthranil-5-yl]-5-propyl-triazole-4-carboxylic acid Formula: C19H15ClN4O3 MolecularWeight: 382.8004

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CCCC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C19H15ClN4O3/c1-2-3-16-17(19(25)26)21-23-24(16)13-8-9-15-14(10-13)18(27-22-15)11-4-6-12(20)7-5-11/h4-10H,2-3H2,1H3,(H,25,26)