methyl 3,3-bis(1,2,4-triazol-1-yl)propanoate

Systemtic Name: methyl 3,3-bis(1,2,4-triazol-1-yl)propanoate Openeye Name: methyl 3,3-bis(1,2,4-triazol-1-yl)propanoate CAS Name: 3,3-bis(1,2,4-triazol-1-yl)propanoic acid methyl ester IUPAC Name: methyl 3,3-bis(1,2,4-triazol-1-yl)propanoate Traditional Name: 3,3-bis(1,2,4-triazol-1-yl)propionic acid methyl ester Formula: C8H10N6O2 MolecularWeight: 222.204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(N1C=NC=N1)N2C=NC=N2

Isomeric SMILES

COC(=O)CC(N1C=NC=N1)N2C=NC=N2

InChI

InChI=1S/C8H10N6O2/c1-16-8(15)2-7(13-5-9-3-11-13)14-6-10-4-12-14/h3-7H,2H2,1H3