1-[3-(4-chlorophenyl)-6-methoxy-2,1-benzoxazol-5-yl]-5-methyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[3-(4-chlorophenyl)-6-methoxy-2,1-benzoxazol-5-yl]-5-methyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[3-(4-chlorophenyl)-6-methoxy-2,1-benzoxazol-5-yl]-5-methyl-triazole-4-carboxylic acid CAS Name: 1-[3-(4-chlorophenyl)-6-methoxy-2,1-benzoxazol-5-yl]-5-methyl-4-triazolecarboxylic acid IUPAC Name: 1-[3-(4-chlorophenyl)-6-methoxy-2,1-benzoxazol-5-yl]-5-methyltriazole-4-carboxylic acid Traditional Name: 1-[3-(4-chlorophenyl)-6-methoxy-anthranil-5-yl]-5-methyl-triazole-4-carboxylic acid Formula: C18H13ClN4O4 MolecularWeight: 384.77322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC3=C(ON=C3C=C2OC)C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CC1=C(N=NN1C2=CC3=C(ON=C3C=C2OC)C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C18H13ClN4O4/c1-9-16(18(24)25)20-22-23(9)14-7-12-13(8-15(14)26-2)21-27-17(12)10-3-5-11(19)6-4-10/h3-8H,1-2H3,(H,24,25)