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

Systemtic Name: 3-azanylidene-2-(3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-6-ethoxy-1-ethyl-2-oxidanidyl-1H-isoindol-2-ium-5-carboxylic acid Openeye Name: 2-(3,3-dimethyl-2-oxo-indolin-5-yl)-6-ethoxy-1-ethyl-3-imino-2-oxido-isoindolin-2-ium-5-carboxylic acid CAS Name: 2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxylic acid IUPAC Name: 2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-6-ethoxy-1-ethyl-3-imino-2-oxido-1H-isoindol-2-ium-5-carboxylic acid Traditional Name: 6-ethoxy-1-ethyl-3-imino-2-(2-keto-3,3-dimethyl-indolin-5-yl)-2-oxido-isoindolin-2-ium-5-carboxylic acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC(=C(C=C2C(=N)[N+]1(C3=CC4=C(C=C3)NC(=O)C4(C)C)[O-])C(=O)O)OCC

Isomeric SMILES

CCC1C2=CC(=C(C=C2C(=N)[N+]1(C3=CC4=C(C=C3)NC(=O)C4(C)C)[O-])C(=O)O)OCC

InChI

InChI=1S/C23H25N3O5/c1-5-18-13-11-19(31-6-2)15(21(27)28)10-14(13)20(24)26(18,30)12-7-8-17-16(9-12)23(3,4)22(29)25-17/h7-11,18,24H,5-6H2,1-4H3,(H,25,29)(H,27,28)