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

Systemtic Name: [1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H18ClNO7 MolecularWeight: 407.80172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C19H18ClNO7/c1-10(18(22)21-12-4-5-14(24-2)15(8-12)25-3)28-19(23)11-6-13(20)17-16(7-11)26-9-27-17/h4-8,10H,9H2,1-3H3,(H,21,22)