1-[(2-chlorophenyl)methyl]-5-(dimethylamino)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[(2-chlorophenyl)methyl]-5-(dimethylamino)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)methyl]-5-(dimethylamino)triazole-4-carboxylic acid CAS Name: 1-[(2-chlorophenyl)methyl]-5-(dimethylamino)-4-triazolecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)methyl]-5-(dimethylamino)triazole-4-carboxylic acid Traditional Name: 1-(2-chlorobenzyl)-5-(dimethylamino)triazole-4-carboxylic acid Formula: C12H13ClN4O2 MolecularWeight: 280.71022

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(N=NN1CC2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CN(C)C1=C(N=NN1CC2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C12H13ClN4O2/c1-16(2)11-10(12(18)19)14-15-17(11)7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3,(H,18,19)