2-[4-[3-(5-nitroimidazol-1-yl)propyl]piperazin-1-yl]propanoic acid

Systemtic Name: 2-[4-[3-(5-nitroimidazol-1-yl)propyl]piperazin-1-yl]propanoic acid Openeye Name: 2-[4-[3-(5-nitroimidazol-1-yl)propyl]piperazin-1-yl]propanoic acid CAS Name: 2-[4-[3-(5-nitro-1-imidazolyl)propyl]-1-piperazinyl]propanoic acid IUPAC Name: 2-[4-[3-(5-nitroimidazol-1-yl)propyl]piperazin-1-yl]propanoic acid Traditional Name: 2-[4-[3-(5-nitroimidazol-1-yl)propyl]piperazino]propionic acid Formula: C13H21N5O4 MolecularWeight: 311.33694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCN(CC1)CCCN2C=NC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)N1CCN(CC1)CCCN2C=NC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H21N5O4/c1-11(13(19)20)16-7-5-15(6-8-16)3-2-4-17-10-14-9-12(17)18(21)22/h9-11H,2-8H2,1H3,(H,19,20)