methyl (2S)-1-(2-nitro-5-phenylmethoxy-phenyl)carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-(2-nitro-5-phenylmethoxy-phenyl)carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-(5-benzyloxy-2-nitro-benzoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2-nitro-5-phenylmethoxyphenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(2-nitro-5-phenylmethoxybenzoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(5-benzoxy-2-nitro-benzoyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2=C(C=CC(=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)C2=C(C=CC(=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c1-27-20(24)18-8-5-11-21(18)19(23)16-12-15(9-10-17(16)22(25)26)28-13-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,13H2,1H3/t18-/m0/s1