diethyl 2-[3-(1,2,4-triazol-1-yl)propanoylamino]propanedioate

Systemtic Name: diethyl 2-[3-(1,2,4-triazol-1-yl)propanoylamino]propanedioate Openeye Name: diethyl 2-[3-(1,2,4-triazol-1-yl)propanoylamino]propanedioate CAS Name: 2-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-(1,2,4-triazol-1-yl)propanoylamino]propanedioate Traditional Name: 2-[3-(1,2,4-triazol-1-yl)propanoylamino]malonic acid diethyl ester Formula: C12H18N4O5 MolecularWeight: 298.29512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)CCN1C=NC=N1

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)CCN1C=NC=N1

InChI

InChI=1S/C12H18N4O5/c1-3-20-11(18)10(12(19)21-4-2)15-9(17)5-6-16-8-13-7-14-16/h7-8,10H,3-6H2,1-2H3,(H,15,17)