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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-azanyl-1H-1,2,4-triazole-5-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-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-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-amino-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C12H11N5O5 MolecularWeight: 305.24624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5O5/c13-12-15-10(16-17-12)11(19)20-4-9(18)14-6-1-2-7-8(3-6)22-5-21-7/h1-3H,4-5H2,(H,14,18)(H3,13,15,16,17)