sodium; hydrogen carbonate; 1-(2-methylbut-3-en-2-yl)-2-nitro-imidazole

Systemtic Name: sodium; hydrogen carbonate; 1-(2-methylbut-3-en-2-yl)-2-nitro-imidazole Openeye Name: sodium; 1-(1,1-dimethylallyl)-2-nitro-imidazole; hydrogen carbonate CAS Name: sodium; hydrogen carbonate; 1-(2-methylbut-3-en-2-yl)-2-nitroimidazole IUPAC Name: sodium; hydrogen carbonate; 1-(2-methylbut-3-en-2-yl)-2-nitroimidazole Traditional Name: sodium 1-(1,1-dimethylallyl)-2-nitro-imidazole bicarbonate Formula: C9H12N3NaO5 MolecularWeight: 265.19845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=C)N1C=CN=C1[N+](=O)[O-].C(=O)(O)[O-].[Na+]

Isomeric SMILES

CC(C)(C=C)N1C=CN=C1[N+](=O)[O-].C(=O)(O)[O-].[Na+]

InChI

InChI=1S/C8H11N3O2.CH2O3.Na/c1-4-8(2,3)10-6-5-9-7(10)11(12)13;2-1(3)4;/h4-6H,1H2,2-3H3;(H2,2,3,4);/q;;+1/p-1