1-[1-methyl-2,5-bis(oxidanylidene)pyrrol-1-ium-1-yl]cyclohexane-1-carboxylate

Systemtic Name: 1-[1-methyl-2,5-bis(oxidanylidene)pyrrol-1-ium-1-yl]cyclohexane-1-carboxylate Openeye Name: 1-(1-methyl-2,5-dioxo-pyrrol-1-ium-1-yl)cyclohexanecarboxylate CAS Name: 1-(1-methyl-2,5-dioxo-1-pyrrol-1-iumyl)-1-cyclohexanecarboxylate IUPAC Name: 1-(1-methyl-2,5-dioxopyrrol-1-ium-1-yl)cyclohexane-1-carboxylate Traditional Name: 1-(2,5-diketo-1-methyl-3-pyrrolin-1-ium-1-yl)cyclohexanecarboxylate Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)C=CC1=O)C2(CCCCC2)C(=O)[O-]

Isomeric SMILES

C[N+]1(C(=O)C=CC1=O)C2(CCCCC2)C(=O)[O-]

InChI

InChI=1S/C12H15NO4/c1-13(9(14)5-6-10(13)15)12(11(16)17)7-3-2-4-8-12/h5-6H,2-4,7-8H2,1H3