1-(3-bromophenyl)-5-propyl-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-(3-bromophenyl)-5-propyl-1,2,3-triazole-4-carboxylate Openeye Name: 1-(3-bromophenyl)-5-propyl-triazole-4-carboxylate CAS Name: 1-(3-bromophenyl)-5-propyl-4-triazolecarboxylate IUPAC Name: 1-(3-bromophenyl)-5-propyltriazole-4-carboxylate Traditional Name: 1-(3-bromophenyl)-5-propyl-triazole-4-carboxylate Formula: C12H11BrN3O2- MolecularWeight: 309.13864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=NN1C2=CC(=CC=C2)Br)C(=O)[O-]

Isomeric SMILES

CCCC1=C(N=NN1C2=CC(=CC=C2)Br)C(=O)[O-]

InChI

InChI=1S/C12H12BrN3O2/c1-2-4-10-11(12(17)18)14-15-16(10)9-6-3-5-8(13)7-9/h3,5-7H,2,4H2,1H3,(H,17,18)/p-1