[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-methyl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C19H15N3O5 MolecularWeight: 365.3395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H15N3O5/c1-12-14(9-21-22(12)18-4-2-3-7-20-18)19(24)25-10-15(23)13-5-6-16-17(8-13)27-11-26-16/h2-9H,10-11H2,1H3