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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C15H18ClNO5/c1-3-10(4-2)17-13(18)7-20-15(19)9-5-11(16)14-12(6-9)21-8-22-14/h5-6,10H,3-4,7-8H2,1-2H3,(H,17,18)