(1R,2S)-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxycarbonyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxycarbonyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxycarbonyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[2-(2-methyl-5-nitro-1-imidazolyl)ethoxy-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxycarbonyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxycarbonyl]cyclohexanecarboxylate Formula: C14H18N3O6- MolecularWeight: 324.30922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C2CCCCC2C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O6/c1-9-15-8-12(17(21)22)16(9)6-7-23-14(20)11-5-3-2-4-10(11)13(18)19/h8,10-11H,2-7H2,1H3,(H,18,19)/p-1/t10-,11+/m1/s1