2,2-dimethyl-6-(5-nitropyridin-2-yl)hexanoate

Systemtic Name: 2,2-dimethyl-6-(5-nitropyridin-2-yl)hexanoate Openeye Name: 2,2-dimethyl-6-(5-nitro-2-pyridyl)hexanoate CAS Name: 2,2-dimethyl-6-(5-nitro-2-pyridinyl)hexanoate IUPAC Name: 2,2-dimethyl-6-(5-nitropyridin-2-yl)hexanoate Traditional Name: 2,2-dimethyl-6-(5-nitro-2-pyridyl)hexanoate Formula: C13H17N2O4- MolecularWeight: 265.28508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCC1=NC=C(C=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)(CCCCC1=NC=C(C=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H18N2O4/c1-13(2,12(16)17)8-4-3-5-10-6-7-11(9-14-10)15(18)19/h6-7,9H,3-5,8H2,1-2H3,(H,16,17)/p-1