diethyl 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: diethyl 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: diethyl 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]triazole-4,5-dicarboxylate CAS Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]triazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]triazole-4,5-dicarboxylate Traditional Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]triazole-4,5-dicarboxylic acid diethyl ester Formula: C17H18N4O7 MolecularWeight: 390.34742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)OCC

InChI

InChI=1S/C17H18N4O7/c1-3-25-16(23)14-15(17(24)26-4-2)21(20-19-14)8-13(22)18-10-5-6-11-12(7-10)28-9-27-11/h5-7H,3-4,8-9H2,1-2H3,(H,18,22)