4-(2-nitroimidazol-1-yl)but-2-ynyl ethanoate

Systemtic Name: 4-(2-nitroimidazol-1-yl)but-2-ynyl ethanoate Openeye Name: 4-(2-nitroimidazol-1-yl)but-2-ynyl acetate CAS Name: acetic acid 4-(2-nitro-1-imidazolyl)but-2-ynyl ester IUPAC Name: 4-(2-nitroimidazol-1-yl)but-2-ynyl acetate Traditional Name: acetic acid 4-(2-nitroimidazol-1-yl)but-2-ynyl ester Formula: C9H9N3O4 MolecularWeight: 223.18546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC#CCN1C=CN=C1[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC#CCN1C=CN=C1[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O4/c1-8(13)16-7-3-2-5-11-6-4-10-9(11)12(14)15/h4,6H,5,7H2,1H3