tert-butyl 2-(3-bromophenyl)-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: tert-butyl 2-(3-bromophenyl)-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylate Openeye Name: tert-butyl 2-(3-bromophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylate CAS Name: 2-(3-bromophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-bromophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylate Traditional Name: 2-(3-bromophenyl)-3-keto-1H-1,2,4-triazole-5-carboxylic acid tert-butyl ester Formula: C13H14BrN3O3 MolecularWeight: 340.17256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=NC(=O)N(N1)C2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1=NC(=O)N(N1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C13H14BrN3O3/c1-13(2,3)20-11(18)10-15-12(19)17(16-10)9-6-4-5-8(14)7-9/h4-7H,1-3H3,(H,15,16,19)