3-azanylidene-2-(3,3-dimethyl-2H-1-benzofuran-5-yl)-6-ethoxy-1-ethyl-2-oxidanidyl-1H-isoindol-2-ium-5-carboxylic acid

Systemtic Name: 3-azanylidene-2-(3,3-dimethyl-2H-1-benzofuran-5-yl)-6-ethoxy-1-ethyl-2-oxidanidyl-1H-isoindol-2-ium-5-carboxylic acid Openeye Name: 2-(3,3-dimethyl-2H-benzofuran-5-yl)-6-ethoxy-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-carboxylic acid CAS Name: 2-(3,3-dimethyl-2H-benzofuran-5-yl)-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxylic acid IUPAC Name: 2-(3,3-dimethyl-2H-1-benzofuran-5-yl)-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxylic acid Traditional Name: 2-(3,3-dimethylcoumaran-5-yl)-6-ethoxy-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-carboxylic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC(=C(C=C2C(=N)[N+]1(C3=CC4=C(C=C3)OCC4(C)C)[O-])C(=O)O)OCC

Isomeric SMILES

CCC1C2=CC(=C(C=C2C(=N)[N+]1(C3=CC4=C(C=C3)OCC4(C)C)[O-])C(=O)O)OCC

InChI

InChI=1S/C23H26N2O5/c1-5-18-14-11-20(29-6-2)16(22(26)27)10-15(14)21(24)25(18,28)13-7-8-19-17(9-13)23(3,4)12-30-19/h7-11,18,24H,5-6,12H2,1-4H3,(H,26,27)