1-(4-bromophenyl)-5-(butylamino)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-bromophenyl)-5-(butylamino)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-bromophenyl)-5-(butylamino)triazole-4-carboxylic acid CAS Name: 1-(4-bromophenyl)-5-(butylamino)-4-triazolecarboxylic acid IUPAC Name: 1-(4-bromophenyl)-5-(butylamino)triazole-4-carboxylic acid Traditional Name: 1-(4-bromophenyl)-5-(butylamino)triazole-4-carboxylic acid Formula: C13H15BrN4O2 MolecularWeight: 339.1878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(N=NN1C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CCCCNC1=C(N=NN1C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C13H15BrN4O2/c1-2-3-8-15-12-11(13(19)20)16-17-18(12)10-6-4-9(14)5-7-10/h4-7,15H,2-3,8H2,1H3,(H,19,20)