O3-tert-butyl O5-[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl] 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-tert-butyl O5-[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl] 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-tert-butyl O5-(1-hydroxy-2,5-dioxo-pyrrolidin-1-ium-1-yl) 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-tert-butyl ester O5-(1-hydroxy-2,5-dioxo-1-pyrrolidin-1-iumyl) ester IUPAC Name: 3-O-tert-butyl 5-O-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-tert-butyl ester O5-(1-hydroxy-2,5-diketo-pyrrolidin-1-ium-1-yl) ester Formula: C23H27N2O7+ MolecularWeight: 443.46968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O[N+]2(C(=O)CCC2=O)O)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O[N+]2(C(=O)CCC2=O)O)C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H26N2O7/c1-13-18(21(28)31-23(3,4)5)20(15-9-7-6-8-10-15)19(14(2)24-13)22(29)32-25(30)16(26)11-12-17(25)27/h6-10,20,30H,11-12H2,1-5H3/p+1