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

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-(2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-(2,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C18H16ClNO7 MolecularWeight: 393.77514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO7/c1-23-11-3-4-14(24-2)13(7-11)20-16(21)8-25-18(22)10-5-12(19)17-15(6-10)26-9-27-17/h3-7H,8-9H2,1-2H3,(H,20,21)