hexane; 2-(4-nitroimidazol-1-yl)ethanoic acid

Systemtic Name: hexane; 2-(4-nitroimidazol-1-yl)ethanoic acid Openeye Name: hexane; 2-(4-nitroimidazol-1-yl)acetic acid CAS Name: hexane; 2-(4-nitro-1-imidazolyl)acetic acid IUPAC Name: hexane; 2-(4-nitroimidazol-1-yl)acetic acid Traditional Name: n-hexane; 2-(4-nitroimidazol-1-yl)acetic acid Formula: C11H19N3O4 MolecularWeight: 257.28626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.C1=C(N=CN1CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCC.C1=C(N=CN1CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C6H14.C5H5N3O4/c1-3-5-6-4-2;9-5(10)2-7-1-4(6-3-7)8(11)12/h3-6H2,1-2H3;1,3H,2H2,(H,9,10)