5-(chloromethyl)-1-(2-pyridin-2-ylcarbonylphenyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 5-(chloromethyl)-1-(2-pyridin-2-ylcarbonylphenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-(chloromethyl)-1-[2-(pyridine-2-carbonyl)phenyl]-1,2,4-triazole-3-carboxylic acid CAS Name: 5-(chloromethyl)-1-[2-[oxo(2-pyridinyl)methyl]phenyl]-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-(chloromethyl)-1-[2-(pyridine-2-carbonyl)phenyl]-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-(chloromethyl)-1-(2-picolinoylphenyl)-1,2,4-triazole-3-carboxylic acid Formula: C16H11ClN4O3 MolecularWeight: 342.73654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC=CC=N2)N3C(=NC(=N3)C(=O)O)CCl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC=CC=N2)N3C(=NC(=N3)C(=O)O)CCl

InChI

InChI=1S/C16H11ClN4O3/c17-9-13-19-15(16(23)24)20-21(13)12-7-2-1-5-10(12)14(22)11-6-3-4-8-18-11/h1-8H,9H2,(H,23,24)