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

Systemtic Name: 1-[tert-butyl(ethanoyl)amino]-3-(3-ethoxycarbonylpyridin-1-ium-1-yl)-4,5-bis(oxidanylidene)pyrrol-2-olate Openeye Name: 1-[acetyl(tert-butyl)amino]-3-(3-ethoxycarbonylpyridin-1-ium-1-yl)-4,5-dioxo-pyrrol-2-olate CAS Name: 1-[acetyl(tert-butyl)amino]-3-(3-ethoxycarbonyl-1-pyridin-1-iumyl)-4,5-dioxo-2-pyrrololate IUPAC Name: 1-[acetyl(tert-butyl)amino]-3-(3-ethoxycarbonylpyridin-1-ium-1-yl)-4,5-dioxopyrrol-2-olate Traditional Name: 1-[acetyl(tert-butyl)amino]-3-(3-carbethoxypyridin-1-ium-1-yl)-4,5-diketo-2-pyrrolin-2-olate Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6/c1-6-27-17(26)12-8-7-9-19(10-12)13-14(23)16(25)20(15(13)24)21(11(2)22)18(3,4)5/h7-10H,6H2,1-5H3