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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

CC(C)CNC(=O)C(C)OC(=O)C1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C15H18ClNO5/c1-8(2)6-17-14(18)9(3)22-15(19)10-4-11(16)13-12(5-10)20-7-21-13/h4-5,8-9H,6-7H2,1-3H3,(H,17,18)