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

Systemtic Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [3-(4-ethylphenyl)-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-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C19H15ClN2O5 MolecularWeight: 386.7858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C19H15ClN2O5/c1-2-11-3-5-12(6-4-11)18-21-16(27-22-18)9-24-19(23)13-7-14(20)17-15(8-13)25-10-26-17/h3-8H,2,9-10H2,1H3