ethyl 4-(cyanomethyl)-5,5-dimethoxy-4H-1,2,3-triazole-1-carboxylate

Systemtic Name: ethyl 4-(cyanomethyl)-5,5-dimethoxy-4H-1,2,3-triazole-1-carboxylate Openeye Name: ethyl 4-(cyanomethyl)-5,5-dimethoxy-4H-triazole-1-carboxylate CAS Name: 4-(cyanomethyl)-5,5-dimethoxy-4H-triazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyanomethyl)-5,5-dimethoxy-4H-triazole-1-carboxylate Traditional Name: 4-(cyanomethyl)-5,5-dimethoxy-4H-triazole-1-carboxylic acid ethyl ester Formula: C9H14N4O4 MolecularWeight: 242.23186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C(N=N1)CC#N)(OC)OC

Isomeric SMILES

CCOC(=O)N1C(C(N=N1)CC#N)(OC)OC

InChI

InChI=1S/C9H14N4O4/c1-4-17-8(14)13-9(15-2,16-3)7(5-6-10)11-12-13/h7H,4-5H2,1-3H3