[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C18H15ClO7 MolecularWeight: 378.7605

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3)OC

InChI

InChI=1S/C18H15ClO7/c1-22-11-3-4-12(15(7-11)23-2)14(20)8-24-18(21)10-5-13(19)17-16(6-10)25-9-26-17/h3-7H,8-9H2,1-2H3