propan-2-yl 4-(1,3-benzodioxol-5-ylcarbonylamino)-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-(1,3-benzodioxol-5-ylcarbonylamino)-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-(1,3-benzodioxole-5-carbonylamino)-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(1,3-benzodioxole-5-carbonylamino)-1-ethylpyrazole-3-carboxylate Traditional Name: 1-ethyl-4-(piperonyloylamino)pyrazole-3-carboxylic acid isopropyl ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19N3O5/c1-4-20-8-12(15(19-20)17(22)25-10(2)3)18-16(21)11-5-6-13-14(7-11)24-9-23-13/h5-8,10H,4,9H2,1-3H3,(H,18,21)