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

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C16H20ClNO5 MolecularWeight: 341.7867

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)C1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

CCCCCCNC(=O)COC(=O)C1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C16H20ClNO5/c1-2-3-4-5-6-18-14(19)9-21-16(20)11-7-12(17)15-13(8-11)22-10-23-15/h7-8H,2-6,9-10H2,1H3,(H,18,19)