1-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-nitro-3-phenyl-benzofuran-5-yl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-nitro-3-phenyl-5-benzofuranyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-nitro-3-phenyl-benzofuran-5-yl)methyl]proline Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC3=C(C=C2)OC(=C3C4=CC=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(N(C1)CC2=CC3=C(C=C2)OC(=C3C4=CC=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H18N2O5/c23-20(24)16-7-4-10-21(16)12-13-8-9-17-15(11-13)18(19(27-17)22(25)26)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12H2,(H,23,24)