1,3-benzodioxol-5-yl (3S)-1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl (3S)-1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: 1,3-benzodioxol-5-yl (3S)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(5-chloro-2-methoxy-phenyl)-5-keto-pyrrolidine-3-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C19H16ClNO6 MolecularWeight: 389.78644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2CC(CC2=O)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C[C@H](CC2=O)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H16ClNO6/c1-24-15-4-2-12(20)7-14(15)21-9-11(6-18(21)22)19(23)27-13-3-5-16-17(8-13)26-10-25-16/h2-5,7-8,11H,6,9-10H2,1H3/t11-/m0/s1