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

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C15H18ClNO5 MolecularWeight: 327.76012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClNO5/c1-2-3-4-5-17-13(18)8-20-15(19)10-6-11(16)14-12(7-10)21-9-22-14/h6-7H,2-5,8-9H2,1H3,(H,17,18)