1-[(3-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-nitroanilino)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-nitrophenyl)carbamoyl]proline Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H13N3O5/c16-11(17)10-5-2-6-14(10)12(18)13-8-3-1-4-9(7-8)15(19)20/h1,3-4,7,10H,2,5-6H2,(H,13,18)(H,16,17)