1-(4-bromanyl-3-methyl-phenyl)-5-propyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-5-propyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-bromo-3-methyl-phenyl)-5-propyl-triazole-4-carboxylic acid CAS Name: 1-(4-bromo-3-methylphenyl)-5-propyl-4-triazolecarboxylic acid IUPAC Name: 1-(4-bromo-3-methylphenyl)-5-propyltriazole-4-carboxylic acid Traditional Name: 1-(4-bromo-3-methyl-phenyl)-5-propyl-triazole-4-carboxylic acid Formula: C13H14BrN3O2 MolecularWeight: 324.17316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrN3O2/c1-3-4-11-12(13(18)19)15-16-17(11)9-5-6-10(14)8(2)7-9/h5-7H,3-4H2,1-2H3,(H,18,19)