1,3-benzodioxol-5-yl (3R)-1-(4-bromanyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl (3R)-1-(4-bromanyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: 1,3-benzodioxol-5-yl (3R)-1-(4-bromo-2-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-(4-bromo-2-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (3R)-1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-(4-bromo-2-methyl-phenyl)-5-keto-pyrrolidine-3-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C19H16BrNO5 MolecularWeight: 418.23804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2CC(CC2=O)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C[C@@H](CC2=O)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H16BrNO5/c1-11-6-13(20)2-4-15(11)21-9-12(7-18(21)22)19(23)26-14-3-5-16-17(8-14)25-10-24-16/h2-6,8,12H,7,9-10H2,1H3/t12-/m1/s1