2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]hexanoic acid

Systemtic Name: 2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]hexanoic acid Openeye Name: 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]hexanoic acid CAS Name: 2-[[[5-nitro-1-(phenylmethyl)-4-imidazolyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[(1-benzyl-5-nitroimidazole-4-carbonyl)amino]hexanoic acid Traditional Name: 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]hexanoic acid Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5/c1-2-3-9-13(17(23)24)19-15(22)14-16(21(25)26)20(11-18-14)10-12-7-5-4-6-8-12/h4-8,11,13H,2-3,9-10H2,1H3,(H,19,22)(H,23,24)