1-[3-(4-nitroimidazol-1-yl)propanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[3-(4-nitroimidazol-1-yl)propanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-(4-nitroimidazol-1-yl)propanoyl]piperidine-3-carboxylic acid CAS Name: 1-[3-(4-nitro-1-imidazolyl)-1-oxopropyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-(4-nitroimidazol-1-yl)propanoyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-(4-nitroimidazol-1-yl)propanoyl]nipecotic acid Formula: C12H16N4O5 MolecularWeight: 296.27924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCN2C=C(N=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CCN2C=C(N=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H16N4O5/c17-11(15-4-1-2-9(6-15)12(18)19)3-5-14-7-10(13-8-14)16(20)21/h7-9H,1-6H2,(H,18,19)