(3R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-keto-pyrrolidine-3-carboxylate Formula: C14H14NO5- MolecularWeight: 276.26466

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)N3CC(CC3=O)C(=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)N3C[C@@H](CC3=O)C(=O)[O-])OC1

InChI

InChI=1S/C14H15NO5/c16-13-6-9(14(17)18)8-15(13)10-2-3-11-12(7-10)20-5-1-4-19-11/h2-3,7,9H,1,4-6,8H2,(H,17,18)/p-1/t9-/m1/s1