2-[4-[(4-tert-butylphenyl)methyl]-1,6-dimethyl-3-nitro-2H-pyridin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-[(4-tert-butylphenyl)methyl]-1,6-dimethyl-3-nitro-2H-pyridin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[(4-tert-butylphenyl)methyl]-1,6-dimethyl-3-nitro-2H-pyridin-1-ium-1-yl]acetate CAS Name: 2-[4-[(4-tert-butylphenyl)methyl]-1,6-dimethyl-3-nitro-2H-pyridin-1-ium-1-yl]acetate IUPAC Name: 2-[4-[(4-tert-butylphenyl)methyl]-1,6-dimethyl-3-nitro-2H-pyridin-1-ium-1-yl]acetate Traditional Name: 2-[4-(4-tert-butylbenzyl)-1,6-dimethyl-3-nitro-2H-pyridin-1-ium-1-yl]acetate Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C[N+]1(C)CC(=O)[O-])[N+](=O)[O-])CC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C[N+]1(C)CC(=O)[O-])[N+](=O)[O-])CC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H26N2O4/c1-14-10-16(11-15-6-8-17(9-7-15)20(2,3)4)18(21(25)26)12-22(14,5)13-19(23)24/h6-10H,11-13H2,1-5H3