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

Systemtic Name: 1-[3-(4-chlorophenyl)-6-methyl-2,1-benzoxazol-5-yl]-5-phenyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[3-(4-chlorophenyl)-6-methyl-2,1-benzoxazol-5-yl]-5-phenyl-triazole-4-carboxylic acid CAS Name: 1-[3-(4-chlorophenyl)-6-methyl-2,1-benzoxazol-5-yl]-5-phenyl-4-triazolecarboxylic acid IUPAC Name: 1-[3-(4-chlorophenyl)-6-methyl-2,1-benzoxazol-5-yl]-5-phenyltriazole-4-carboxylic acid Traditional Name: 1-[3-(4-chlorophenyl)-6-methyl-anthranil-5-yl]-5-phenyl-triazole-4-carboxylic acid Formula: C23H15ClN4O3 MolecularWeight: 430.8432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NOC(=C2C=C1N3C(=C(N=N3)C(=O)O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC2=NOC(=C2C=C1N3C(=C(N=N3)C(=O)O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H15ClN4O3/c1-13-11-18-17(22(31-26-18)15-7-9-16(24)10-8-15)12-19(13)28-21(14-5-3-2-4-6-14)20(23(29)30)25-27-28/h2-12H,1H3,(H,29,30)