(4-nitrophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylic acid (4-nitrobenzyl) ester Formula: C20H20N2O8S MolecularWeight: 448.4464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O8S/c23-20(30-13-14-3-5-15(6-4-14)22(24)25)17-2-1-9-21(17)31(26,27)16-7-8-18-19(12-16)29-11-10-28-18/h3-8,12,17H,1-2,9-11,13H2