5-(3-chlorophenyl)-1-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 5-(3-chlorophenyl)-1-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-(3-chlorophenyl)-1-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-(3-chlorophenyl)-1-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-(3-chlorophenyl)-1-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-(3-chlorophenyl)-1-(4-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid Formula: C16H12ClN3O3 MolecularWeight: 329.73778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)O)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H12ClN3O3/c1-23-13-7-5-12(6-8-13)20-15(18-14(19-20)16(21)22)10-3-2-4-11(17)9-10/h2-9H,1H3,(H,21,22)