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

Systemtic Name: dimethyl 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C15H14N4O7 MolecularWeight: 362.29426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=N1)CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C15H14N4O7/c1-23-14(21)12-13(15(22)24-2)19(18-17-12)6-11(20)16-8-3-4-9-10(5-8)26-7-25-9/h3-5H,6-7H2,1-2H3,(H,16,20)