2-[4-[(4-tert-butylphenyl)methyl]-1,6-dimethyl-3-nitro-2-oxidanylidene-pyridin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(4-tert-butylphenyl)methyl]-1,6-dimethyl-3-nitro-2-oxidanylidene-pyridin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[4-[(4-tert-butylphenyl)methyl]-1,6-dimethyl-3-nitro-2-oxo-pyridin-1-ium-1-yl]acetic acid CAS Name: 2-[4-[(4-tert-butylphenyl)methyl]-1,6-dimethyl-3-nitro-2-oxo-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-[4-[(4-tert-butylphenyl)methyl]-1,6-dimethyl-3-nitro-2-oxopyridin-1-ium-1-yl]acetic acid Traditional Name: 2-[4-(4-tert-butylbenzyl)-2-keto-1,6-dimethyl-3-nitro-pyridin-1-ium-1-yl]acetic acid Formula: C20H25N2O5+ MolecularWeight: 373.4229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5/c1-13-10-15(11-14-6-8-16(9-7-14)20(2,3)4)18(21(26)27)19(25)22(13,5)12-17(23)24/h6-10H,11-12H2,1-5H3/p+1