diethyl 2-(6,6-dimethoxy-3,3-dimethyl-2-nitro-5-oxidanylidene-hexyl)-1H-pyrrole-3,4-dicarboxylate

Systemtic Name: diethyl 2-(6,6-dimethoxy-3,3-dimethyl-2-nitro-5-oxidanylidene-hexyl)-1H-pyrrole-3,4-dicarboxylate Openeye Name: diethyl 2-(6,6-dimethoxy-3,3-dimethyl-2-nitro-5-oxo-hexyl)-1H-pyrrole-3,4-dicarboxylate CAS Name: 2-(6,6-dimethoxy-3,3-dimethyl-2-nitro-5-oxohexyl)-1H-pyrrole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(6,6-dimethoxy-3,3-dimethyl-2-nitro-5-oxohexyl)-1H-pyrrole-3,4-dicarboxylate Traditional Name: 2-(5-keto-6,6-dimethoxy-3,3-dimethyl-2-nitro-hexyl)-1H-pyrrole-3,4-dicarboxylic acid diethyl ester Formula: C20H30N2O9 MolecularWeight: 442.4602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC(=C1C(=O)OCC)CC(C(C)(C)CC(=O)C(OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CNC(=C1C(=O)OCC)CC(C(C)(C)CC(=O)C(OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H30N2O9/c1-7-30-17(24)12-11-21-13(16(12)18(25)31-8-2)9-15(22(26)27)20(3,4)10-14(23)19(28-5)29-6/h11,15,19,21H,7-10H2,1-6H3