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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H13N3O5/c1-17-6-9(5-15-17)14(19)20-7-13(18)16-10-2-3-11-12(4-10)22-8-21-11/h2-6H,7-8H2,1H3,(H,16,18)