1-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-(iodanylmethyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-(iodanylmethyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(2-benzoyl-4-chloro-phenyl)-5-(iodomethyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(2-benzoyl-4-chlorophenyl)-5-(iodomethyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(2-benzoyl-4-chlorophenyl)-5-(iodomethyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(2-benzoyl-4-chloro-phenyl)-5-(iodomethyl)-1,2,4-triazole-3-carboxylic acid Formula: C17H11ClIN3O3 MolecularWeight: 467.64501

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)N3C(=NC(=N3)C(=O)O)CI

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)N3C(=NC(=N3)C(=O)O)CI

InChI

InChI=1S/C17H11ClIN3O3/c18-11-6-7-13(22-14(9-19)20-16(21-22)17(24)25)12(8-11)15(23)10-4-2-1-3-5-10/h1-8H,9H2,(H,24,25)