(4-nitrophenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-nitrophenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-nitrophenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidine-3-carboxylic acid (4-nitrophenyl) ester Formula: C19H16N2O7 MolecularWeight: 384.33954

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C[C@H](CC3=O)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O7/c22-18-9-12(19(23)28-15-4-1-13(2-5-15)21(24)25)11-20(18)14-3-6-16-17(10-14)27-8-7-26-16/h1-6,10,12H,7-9,11H2/t12-/m0/s1