1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]nipecotic acid Formula: C12H18N4O4 MolecularWeight: 282.29572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCN2CCCC(C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCN2CCCC(C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O4/c1-9-13-7-11(16(19)20)15(9)6-5-14-4-2-3-10(8-14)12(17)18/h7,10H,2-6,8H2,1H3,(H,17,18)