1-[4-chloranyl-2-(4-methoxyphenyl)carbonyl-phenyl]-5-(chloromethyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-[4-chloranyl-2-(4-methoxyphenyl)carbonyl-phenyl]-5-(chloromethyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-[4-chloro-2-(4-methoxybenzoyl)phenyl]-5-(chloromethyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 1-[4-chloro-2-[(4-methoxyphenyl)-oxomethyl]phenyl]-5-(chloromethyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-[4-chloro-2-(4-methoxybenzoyl)phenyl]-5-(chloromethyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-(chloromethyl)-1-(4-chloro-2-p-anisoyl-phenyl)-1,2,4-triazole-3-carboxylic acid Formula: C18H13Cl2N3O4 MolecularWeight: 406.21952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)N3C(=NC(=N3)C(=O)O)CCl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)N3C(=NC(=N3)C(=O)O)CCl

InChI

InChI=1S/C18H13Cl2N3O4/c1-27-12-5-2-10(3-6-12)16(24)13-8-11(20)4-7-14(13)23-15(9-19)21-17(22-23)18(25)26/h2-8H,9H2,1H3,(H,25,26)