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

Systemtic Name: 1-[1-[tert-butyl(ethanoyl)amino]-2-oxidanidyl-4,5-bis(oxidanylidene)pyrrol-3-yl]pyridin-1-ium-3-carboxylate Openeye Name: 1-[1-[acetyl(tert-butyl)amino]-2-oxido-4,5-dioxo-pyrrol-3-yl]pyridin-1-ium-3-carboxylate CAS Name: 1-[1-[acetyl(tert-butyl)amino]-2-oxido-4,5-dioxo-3-pyrrolyl]-3-pyridin-1-iumcarboxylate IUPAC Name: 1-[1-[acetyl(tert-butyl)amino]-2-oxido-4,5-dioxopyrrol-3-yl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[1-[acetyl(tert-butyl)amino]-4,5-diketo-2-oxido-2-pyrrolin-3-yl]pyridin-1-ium-3-carboxylate Formula: C16H16N3O6- MolecularWeight: 346.31474

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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)[O-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O6/c1-9(20)19(16(2,3)4)18-13(22)11(12(21)14(18)23)17-7-5-6-10(8-17)15(24)25/h5-8H,1-4H3,(H-,21,22,24,25)/p-1