diethyl 2-(1,2,4-triazol-1-yl)propanedioate

Systemtic Name: diethyl 2-(1,2,4-triazol-1-yl)propanedioate Openeye Name: diethyl 2-(1,2,4-triazol-1-yl)propanedioate CAS Name: 2-(1,2,4-triazol-1-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(1,2,4-triazol-1-yl)propanedioate Traditional Name: 2-(1,2,4-triazol-1-yl)malonic acid diethyl ester Formula: C9H13N3O4 MolecularWeight: 227.21722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)N1C=NC=N1

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N1C=NC=N1

InChI

InChI=1S/C9H13N3O4/c1-3-15-8(13)7(9(14)16-4-2)12-6-10-5-11-12/h5-7H,3-4H2,1-2H3