[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C18H16BrNO5 MolecularWeight: 406.22734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C1=CC=CC=C1Br)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H16BrNO5/c1-11(13-4-2-3-5-14(13)19)20-17(21)9-23-18(22)12-6-7-15-16(8-12)25-10-24-15/h2-8,11H,9-10H2,1H3,(H,20,21)/t11-/m1/s1