1-[1-[tert-butyl(ethanoyl)amino]-2-oxidanyl-4,5-bis(oxidanylidene)pyrrol-3-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[1-[tert-butyl(ethanoyl)amino]-2-oxidanyl-4,5-bis(oxidanylidene)pyrrol-3-yl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[1-[acetyl(tert-butyl)amino]-2-hydroxy-4,5-dioxo-pyrrol-3-yl]pyridin-1-ium-3-carboxamide CAS Name: 1-[1-[acetyl(tert-butyl)amino]-2-hydroxy-4,5-dioxo-3-pyrrolyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[1-[acetyl(tert-butyl)amino]-2-hydroxy-4,5-dioxopyrrol-3-yl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[1-[acetyl(tert-butyl)amino]-2-hydroxy-4,5-diketo-2-pyrrolin-3-yl]pyridin-1-ium-3-carboxamide Formula: C16H19N4O5+ MolecularWeight: 347.34586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(C)(C)C)N1C(=C(C(=O)C1=O)[N+]2=CC=CC(=C2)C(=O)N)O

Isomeric SMILES

CC(=O)N(C(C)(C)C)N1C(=C(C(=O)C1=O)[N+]2=CC=CC(=C2)C(=O)N)O

InChI

InChI=1S/C16H18N4O5/c1-9(21)20(16(2,3)4)19-14(24)11(12(22)15(19)25)18-7-5-6-10(8-18)13(17)23/h5-8H,1-4H3,(H2-,17,22,23,24)/p+1