1-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-oxidanidyl-2-(3-phenylpropyl)-3H-pyrrol-1-ium-2-carboxylic acid

Systemtic Name: 1-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-oxidanidyl-2-(3-phenylpropyl)-3H-pyrrol-1-ium-2-carboxylic acid Openeye Name: 1-(1,3-dioxoisoindolin-2-yl)-1-oxido-2-(3-phenylpropyl)-3H-pyrrol-1-ium-2-carboxylic acid CAS Name: 1-(1,3-dioxo-2-isoindolyl)-1-oxido-2-(3-phenylpropyl)-3H-pyrrol-1-ium-2-carboxylic acid IUPAC Name: 1-(1,3-dioxoisoindol-2-yl)-1-oxido-2-(3-phenylpropyl)-3H-pyrrol-1-ium-2-carboxylic acid Traditional Name: 1-oxido-2-(3-phenylpropyl)-1-phthalimido-2-pyrrolin-1-ium-2-carboxylic acid Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C[N+](C1(CCCC2=CC=CC=C2)C(=O)O)(N3C(=O)C4=CC=CC=C4C3=O)[O-]

Isomeric SMILES

C1C=C[N+](C1(CCCC2=CC=CC=C2)C(=O)O)(N3C(=O)C4=CC=CC=C4C3=O)[O-]

InChI

InChI=1S/C22H20N2O5/c25-19-17-11-4-5-12-18(17)20(26)23(19)24(29)15-7-14-22(24,21(27)28)13-6-10-16-8-2-1-3-9-16/h1-5,7-9,11-12,15H,6,10,13-14H2,(H,27,28)