tert-butyl 3-methanoyl-1,2,4-triazole-1-carboxylate

Systemtic Name: tert-butyl 3-methanoyl-1,2,4-triazole-1-carboxylate Openeye Name: tert-butyl 3-formyl-1,2,4-triazole-1-carboxylate CAS Name: 3-formyl-1,2,4-triazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-formyl-1,2,4-triazole-1-carboxylate Traditional Name: 3-formyl-1,2,4-triazole-1-carboxylic acid tert-butyl ester Formula: C8H11N3O3 MolecularWeight: 197.19124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=NC(=N1)C=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C=NC(=N1)C=O

InChI

InChI=1S/C8H11N3O3/c1-8(2,3)14-7(13)11-5-9-6(4-12)10-11/h4-5H,1-3H3