1-(3-methylphenyl)-5-propyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(3-methylphenyl)-5-propyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(m-tolyl)-5-propyl-triazole-4-carboxylic acid CAS Name: 1-(3-methylphenyl)-5-propyl-4-triazolecarboxylic acid IUPAC Name: 1-(3-methylphenyl)-5-propyltriazole-4-carboxylic acid Traditional Name: 1-(m-tolyl)-5-propyl-triazole-4-carboxylic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=NN1C2=CC=CC(=C2)C)C(=O)O

Isomeric SMILES

CCCC1=C(N=NN1C2=CC=CC(=C2)C)C(=O)O

InChI

InChI=1S/C13H15N3O2/c1-3-5-11-12(13(17)18)14-15-16(11)10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3,(H,17,18)