(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C14H13ClN2O5 MolecularWeight: 324.71642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC(C)C1=NOC(=N1)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C14H13ClN2O5/c1-7(2)13-16-11(22-17-13)5-19-14(18)8-3-9(15)12-10(4-8)20-6-21-12/h3-4,7H,5-6H2,1-2H3