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

Systemtic Name: 1-[3-(4-chlorophenyl)-6-methoxy-2,1-benzoxazol-5-yl]-5-phenyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[3-(4-chlorophenyl)-6-methoxy-2,1-benzoxazol-5-yl]-5-phenyl-triazole-4-carboxylic acid CAS Name: 1-[3-(4-chlorophenyl)-6-methoxy-2,1-benzoxazol-5-yl]-5-phenyl-4-triazolecarboxylic acid IUPAC Name: 1-[3-(4-chlorophenyl)-6-methoxy-2,1-benzoxazol-5-yl]-5-phenyltriazole-4-carboxylic acid Traditional Name: 1-[3-(4-chlorophenyl)-6-methoxy-anthranil-5-yl]-5-phenyl-triazole-4-carboxylic acid Formula: C23H15ClN4O4 MolecularWeight: 446.8426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NOC(=C2C=C1N3C(=C(N=N3)C(=O)O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=CC2=NOC(=C2C=C1N3C(=C(N=N3)C(=O)O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H15ClN4O4/c1-31-19-12-17-16(22(32-26-17)14-7-9-15(24)10-8-14)11-18(19)28-21(13-5-3-2-4-6-13)20(23(29)30)25-27-28/h2-12H,1H3,(H,29,30)