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

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

CC1=CC(=NN1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=NN1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

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