[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (2-tert-butoxy-2-oxo-ethyl) 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (2-tert-butoxy-2-keto-ethyl) ester Formula: C12H16N2O6 MolecularWeight: 284.26524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC(=O)C1=CC(=CN1C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)COC(=O)C1=CC(=CN1C)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O6/c1-12(2,3)20-10(15)7-19-11(16)9-5-8(14(17)18)6-13(9)4/h5-6H,7H2,1-4H3