2-(1,2-dimethyl-5-nitro-imidazol-4-yl)ethyl ethanoate

Systemtic Name: 2-(1,2-dimethyl-5-nitro-imidazol-4-yl)ethyl ethanoate Openeye Name: 2-(1,2-dimethyl-5-nitro-imidazol-4-yl)ethyl acetate CAS Name: acetic acid 2-(1,2-dimethyl-5-nitro-4-imidazolyl)ethyl ester IUPAC Name: 2-(1,2-dimethyl-5-nitroimidazol-4-yl)ethyl acetate Traditional Name: acetic acid 2-(1,2-dimethyl-5-nitro-imidazol-4-yl)ethyl ester Formula: C9H13N3O4 MolecularWeight: 227.21722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1C)[N+](=O)[O-])CCOC(=O)C

Isomeric SMILES

CC1=NC(=C(N1C)[N+](=O)[O-])CCOC(=O)C

InChI

InChI=1S/C9H13N3O4/c1-6-10-8(4-5-16-7(2)13)9(11(6)3)12(14)15/h4-5H2,1-3H3