2-[2-(1-methyl-5-nitro-imidazol-2-yl)pyrimidin-5-yl]oxyethyl ethanoate

Systemtic Name: 2-[2-(1-methyl-5-nitro-imidazol-2-yl)pyrimidin-5-yl]oxyethyl ethanoate Openeye Name: 2-[2-(1-methyl-5-nitro-imidazol-2-yl)pyrimidin-5-yl]oxyethyl acetate CAS Name: acetic acid 2-[[2-(1-methyl-5-nitro-2-imidazolyl)-5-pyrimidinyl]oxy]ethyl ester IUPAC Name: 2-[2-(1-methyl-5-nitroimidazol-2-yl)pyrimidin-5-yl]oxyethyl acetate Traditional Name: acetic acid 2-[2-(1-methyl-5-nitro-imidazol-2-yl)pyrimidin-5-yl]oxyethyl ester Formula: C12H13N5O5 MolecularWeight: 307.26212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC1=CN=C(N=C1)C2=NC=C(N2C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCOC1=CN=C(N=C1)C2=NC=C(N2C)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O5/c1-8(18)21-3-4-22-9-5-13-11(14-6-9)12-15-7-10(16(12)2)17(19)20/h5-7H,3-4H2,1-2H3