2-(hydroxymethyl)-3-methyl-5-nitro-imidazole-4-carbonitrile

Systemtic Name: 2-(hydroxymethyl)-3-methyl-5-nitro-imidazole-4-carbonitrile Openeye Name: 2-(hydroxymethyl)-3-methyl-5-nitro-imidazole-4-carbonitrile CAS Name: 2-(hydroxymethyl)-3-methyl-5-nitro-4-imidazolecarbonitrile IUPAC Name: 2-(hydroxymethyl)-3-methyl-5-nitroimidazole-4-carbonitrile Traditional Name: 3-methyl-2-methylol-5-nitro-imidazole-4-carbonitrile Formula: C6H6N4O3 MolecularWeight: 182.13684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=C1C#N)[N+](=O)[O-])CO

Isomeric SMILES

CN1C(=NC(=C1C#N)[N+](=O)[O-])CO

InChI

InChI=1S/C6H6N4O3/c1-9-4(2-7)6(10(12)13)8-5(9)3-11/h11H,3H2,1H3