diethyl 1-[1,3-bis(oxidanylidene)-2-propyl-isoindol-2-ium-2-yl]pyrrole-3,4-dicarboxylate

Systemtic Name: diethyl 1-[1,3-bis(oxidanylidene)-2-propyl-isoindol-2-ium-2-yl]pyrrole-3,4-dicarboxylate Openeye Name: diethyl 1-(1,3-dioxo-2-propyl-isoindolin-2-ium-2-yl)pyrrole-3,4-dicarboxylate CAS Name: 1-(1,3-dioxo-2-propyl-2-isoindol-2-iumyl)pyrrole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-(1,3-dioxo-2-propylisoindol-2-ium-2-yl)pyrrole-3,4-dicarboxylate Traditional Name: 1-(1,3-diketo-2-propyl-isoindolin-2-ium-2-yl)pyrrole-3,4-dicarboxylic acid diethyl ester Formula: C21H23N2O6+ MolecularWeight: 399.41712

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C(=O)C2=CC=CC=C2C1=O)N3C=C(C(=C3)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCC[N+]1(C(=O)C2=CC=CC=C2C1=O)N3C=C(C(=C3)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H23N2O6/c1-4-11-23(18(24)14-9-7-8-10-15(14)19(23)25)22-12-16(20(26)28-5-2)17(13-22)21(27)29-6-3/h7-10,12-13H,4-6,11H2,1-3H3/q+1