2-phenyl-5-propyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 2-phenyl-5-propyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 2-phenyl-5-propyl-triazole-4-carboxylic acid CAS Name: 2-phenyl-5-propyl-4-triazolecarboxylic acid IUPAC Name: 2-phenyl-5-propyltriazole-4-carboxylic acid Traditional Name: 2-phenyl-5-propyl-triazole-4-carboxylic acid Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(N=C1C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCC1=NN(N=C1C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2/c1-2-6-10-11(12(16)17)14-15(13-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,16,17)