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

Systemtic Name: (3-nitrophenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3-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 (3-nitrophenyl) ester IUPAC Name: (3-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 (3-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=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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