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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 1H-pyrazole-5-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O5/c17-12(6-19-13(18)9-3-4-14-16-9)15-8-1-2-10-11(5-8)21-7-20-10/h1-5H,6-7H2,(H,14,16)(H,15,17)