[(Z)-[1-ethyl-3-[(2-methyl-3-nitro-butan-2-yl)oxymethyl]imidazol-2-ylidene]methyl]-oxidanylidene-azanium chloride

Systemtic Name: [(Z)-[1-ethyl-3-[(2-methyl-3-nitro-butan-2-yl)oxymethyl]imidazol-2-ylidene]methyl]-oxidanylidene-azanium chloride Openeye Name: [(Z)-[1-[(1,1-dimethyl-2-nitro-propoxy)methyl]-3-ethyl-imidazol-2-ylidene]methyl]-oxo-ammonium chloride CAS Name: [(Z)-[1-ethyl-3-[(2-methyl-3-nitrobutan-2-yl)oxymethyl]-2-imidazolylidene]methyl]-oxoammonium chloride IUPAC Name: [(Z)-[1-ethyl-3-[(2-methyl-3-nitrobutan-2-yl)oxymethyl]imidazol-2-ylidene]methyl]-oxoazanium chloride Traditional Name: [(Z)-[1-[(1,1-dimethyl-2-nitro-propoxy)methyl]-3-ethyl-4-imidazolin-2-ylidene]methyl]-keto-ammonium chloride Formula: C12H21ClN4O4 MolecularWeight: 320.77254

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN(C1=C[NH+]=O)COC(C)(C)C(C)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCN\1C=CN(/C1=C\[NH+]=O)COC(C)(C)C(C)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C12H20N4O4.ClH/c1-5-14-6-7-15(11(14)8-13-17)9-20-12(3,4)10(2)16(18)19;/h6-8,10H,5,9H2,1-4H3;1H/b11-8-;