2-(4-nitroimidazol-1-yl)heptanoic acid

Systemtic Name: 2-(4-nitroimidazol-1-yl)heptanoic acid Openeye Name: 2-(4-nitroimidazol-1-yl)heptanoic acid CAS Name: 2-(4-nitro-1-imidazolyl)heptanoic acid IUPAC Name: 2-(4-nitroimidazol-1-yl)heptanoic acid Traditional Name: 2-(4-nitroimidazol-1-yl)enanthic acid Formula: C10H15N3O4 MolecularWeight: 241.2438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)O)N1C=C(N=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(C(=O)O)N1C=C(N=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H15N3O4/c1-2-3-4-5-8(10(14)15)12-6-9(11-7-12)13(16)17/h6-8H,2-5H2,1H3,(H,14,15)