[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-azanyl-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-azanyl-1H-1,2,4-triazole-5-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3-amino-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-amino-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C13H13N5O5 MolecularWeight: 319.27282

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=NC(=NN3)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=NC(=NN3)N

InChI

InChI=1S/C13H13N5O5/c14-13-16-11(17-18-13)12(20)21-5-10(19)15-4-7-1-2-8-9(3-7)23-6-22-8/h1-3H,4-6H2,(H,15,19)(H3,14,16,17,18)