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

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [(1R)-2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [(2R)-1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [(1R)-2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H17ClN2O6 MolecularWeight: 404.80108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

C[C@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C19H17ClN2O6/c1-11(17(23)22-19(25)21-9-12-5-3-2-4-6-12)28-18(24)13-7-14(20)16-15(8-13)26-10-27-16/h2-8,11H,9-10H2,1H3,(H2,21,22,23,25)/t11-/m1/s1