methyl 2-(4-nitroimidazol-1-yl)ethanoate

Systemtic Name: methyl 2-(4-nitroimidazol-1-yl)ethanoate Openeye Name: methyl 2-(4-nitroimidazol-1-yl)acetate CAS Name: 2-(4-nitro-1-imidazolyl)acetic acid methyl ester IUPAC Name: methyl 2-(4-nitroimidazol-1-yl)acetate Traditional Name: 2-(4-nitroimidazol-1-yl)acetic acid methyl ester Formula: C6H7N3O4 MolecularWeight: 185.13748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=C(N=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN1C=C(N=C1)[N+](=O)[O-]

InChI

InChI=1S/C6H7N3O4/c1-13-6(10)3-8-2-5(7-4-8)9(11)12/h2,4H,3H2,1H3