(2S)-1-[3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[3-(4-nitrophenyl)-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[3-(4-nitrophenyl)propanoyl]proline Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H16N2O5/c17-13(15-9-1-2-12(15)14(18)19)8-5-10-3-6-11(7-4-10)16(20)21/h3-4,6-7,12H,1-2,5,8-9H2,(H,18,19)/t12-/m0/s1