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

Systemtic Name: [(2S)-1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [(1S)-2-(2-ethoxyanilino)-1-methyl-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [(1S)-2-keto-1-methyl-2-(o-phenetidino)ethyl] ester Formula: C19H18ClNO6 MolecularWeight: 391.80232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C)OC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C19H18ClNO6/c1-3-24-15-7-5-4-6-14(15)21-18(22)11(2)27-19(23)12-8-13(20)17-16(9-12)25-10-26-17/h4-9,11H,3,10H2,1-2H3,(H,21,22)/t11-/m0/s1