methyl 4-[3-(1,3-benzodioxol-5-ylcarbonylamino)pyrazol-1-yl]butanoate

Systemtic Name: methyl 4-[3-(1,3-benzodioxol-5-ylcarbonylamino)pyrazol-1-yl]butanoate Openeye Name: methyl 4-[3-(1,3-benzodioxole-5-carbonylamino)pyrazol-1-yl]butanoate CAS Name: 4-[3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-pyrazolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[3-(1,3-benzodioxole-5-carbonylamino)pyrazol-1-yl]butanoate Traditional Name: 4-[3-(piperonyloylamino)pyrazol-1-yl]butyric acid methyl ester Formula: C16H17N3O5 MolecularWeight: 331.32328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C=CC(=N1)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CCCN1C=CC(=N1)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

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