1-[2-[(2-carboxy-6-nitro-phenyl)carbonylamino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(2-carboxy-6-nitro-phenyl)carbonylamino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(2-carboxy-6-nitro-benzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[(2-carboxy-6-nitrophenyl)-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(2-carboxy-6-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(2-carboxy-6-nitro-benzoyl)amino]propanoyl]proline Formula: C16H17N3O8 MolecularWeight: 379.32148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H17N3O8/c1-8(14(21)18-7-3-6-11(18)16(24)25)17-13(20)12-9(15(22)23)4-2-5-10(12)19(26)27/h2,4-5,8,11H,3,6-7H2,1H3,(H,17,20)(H,22,23)(H,24,25)