dimethyl 1-butyl-3-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-4-nitro-pyrrole-2,5-dicarboxylate

Systemtic Name: dimethyl 1-butyl-3-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-4-nitro-pyrrole-2,5-dicarboxylate Openeye Name: dimethyl 1-butyl-3-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-nitro-pyrrole-2,5-dicarboxylate CAS Name: 1-butyl-3-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-nitropyrrole-2,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-butyl-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-nitropyrrole-2,5-dicarboxylate Traditional Name: 1-butyl-3-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-4-nitro-pyrrole-2,5-dicarboxylic acid dimethyl ester Formula: C17H24N2O9 MolecularWeight: 400.38046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=C1C(=O)OC)[N+](=O)[O-])C2CC(C(O2)CO)O)C(=O)OC

Isomeric SMILES

CCCCN1C(=C(C(=C1C(=O)OC)[N+](=O)[O-])C2CC(C(O2)CO)O)C(=O)OC

InChI

InChI=1S/C17H24N2O9/c1-4-5-6-18-14(16(22)26-2)12(10-7-9(21)11(8-20)28-10)13(19(24)25)15(18)17(23)27-3/h9-11,20-21H,4-8H2,1-3H3