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

Systemtic Name: 3-(3-aminocarbonylpyridin-1-ium-1-yl)-1-[tert-butyl(ethanoyl)amino]-4,5-bis(oxidanylidene)pyrrol-2-olate Openeye Name: 1-[acetyl(tert-butyl)amino]-3-(3-carbamoylpyridin-1-ium-1-yl)-4,5-dioxo-pyrrol-2-olate CAS Name: 1-[acetyl(tert-butyl)amino]-3-(3-carbamoyl-1-pyridin-1-iumyl)-4,5-dioxo-2-pyrrololate IUPAC Name: 1-[acetyl(tert-butyl)amino]-3-(3-carbamoylpyridin-1-ium-1-yl)-4,5-dioxopyrrol-2-olate Traditional Name: 1-[acetyl(tert-butyl)amino]-3-(3-carbamoylpyridin-1-ium-1-yl)-4,5-diketo-2-pyrrolin-2-olate Formula: C16H18N4O5 MolecularWeight: 346.33792

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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)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)