(4-nitroimidazol-1-yl)methyl ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCN1C=C(N=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCN1C=C(N=C1)[N+](=O)[O-]

InChI

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