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

Systemtic Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C20H18Cl2N2O5 MolecularWeight: 437.27332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)COC(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)COC(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H18Cl2N2O5/c21-14-2-1-3-15(10-14)23-4-6-24(7-5-23)18(25)11-27-20(26)13-8-16(22)19-17(9-13)28-12-29-19/h1-3,8-10H,4-7,11-12H2