triethyl 5-methyl-1-(5-nitropyridin-2-yl)hexane-1,1,5-tricarboxylate

Systemtic Name: triethyl 5-methyl-1-(5-nitropyridin-2-yl)hexane-1,1,5-tricarboxylate Openeye Name: triethyl 5-methyl-1-(5-nitro-2-pyridyl)hexane-1,1,5-tricarboxylate CAS Name: 5-methyl-1-(5-nitro-2-pyridinyl)hexane-1,1,5-tricarboxylic acid triethyl ester IUPAC Name: triethyl 5-methyl-1-(5-nitropyridin-2-yl)hexane-1,1,5-tricarboxylate Traditional Name: 5-methyl-1-(5-nitro-2-pyridyl)hexane-1,1,5-tricarboxylic acid triethyl ester Formula: C21H30N2O8 MolecularWeight: 438.4715

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCC(C1=NC=C(C=C1)[N+](=O)[O-])(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C)(C)CCCC(C1=NC=C(C=C1)[N+](=O)[O-])(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H30N2O8/c1-6-29-17(24)20(4,5)12-9-13-21(18(25)30-7-2,19(26)31-8-3)16-11-10-15(14-22-16)23(27)28/h10-11,14H,6-9,12-13H2,1-5H3