[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C14H16ClNO5 MolecularWeight: 313.73354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C14H16ClNO5/c1-3-8(2)16-12(17)6-19-14(18)9-4-10(15)13-11(5-9)20-7-21-13/h4-5,8H,3,6-7H2,1-2H3,(H,16,17)/t8-/m0/s1