(2S,4R)-4-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-4-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-4-[(3-nitrophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-4-(3-nitrobenzyl)proline Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)O)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](CN[C@@H]1C(=O)O)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O4/c15-12(16)11-6-9(7-13-11)4-8-2-1-3-10(5-8)14(17)18/h1-3,5,9,11,13H,4,6-7H2,(H,15,16)/t9-,11+/m1/s1