methyl 2-(5-bromanyl-2-methyl-4-nitro-imidazol-1-yl)ethanoate

Systemtic Name: methyl 2-(5-bromanyl-2-methyl-4-nitro-imidazol-1-yl)ethanoate Openeye Name: methyl 2-(5-bromo-2-methyl-4-nitro-imidazol-1-yl)acetate CAS Name: 2-(5-bromo-2-methyl-4-nitro-1-imidazolyl)acetic acid methyl ester IUPAC Name: methyl 2-(5-bromo-2-methyl-4-nitroimidazol-1-yl)acetate Traditional Name: 2-(5-bromo-2-methyl-4-nitro-imidazol-1-yl)acetic acid methyl ester Formula: C7H8BrN3O4 MolecularWeight: 278.06012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC(=O)OC)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC(=O)OC)Br)[N+](=O)[O-]

InChI

InChI=1S/C7H8BrN3O4/c1-4-9-7(11(13)14)6(8)10(4)3-5(12)15-2/h3H2,1-2H3