ethyl 2-[3-(1,3-benzodioxol-5-ylcarbonylamino)-5-methyl-pyrazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-(1,3-benzodioxol-5-ylcarbonylamino)-5-methyl-pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[3-(1,3-benzodioxole-5-carbonylamino)-5-methyl-pyrazol-1-yl]acetate CAS Name: 2-[3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-methyl-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(1,3-benzodioxole-5-carbonylamino)-5-methylpyrazol-1-yl]acetate Traditional Name: 2-[5-methyl-3-(piperonyloylamino)pyrazol-1-yl]acetic acid ethyl ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=CC(=N1)NC(=O)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCOC(=O)CN1C(=CC(=N1)NC(=O)C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C16H17N3O5/c1-3-22-15(20)8-19-10(2)6-14(18-19)17-16(21)11-4-5-12-13(7-11)24-9-23-12/h4-7H,3,8-9H2,1-2H3,(H,17,18,21)