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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2C(C=C[N+]2(N3C(=O)C4=CC=CC=C4C3=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC2C(C=C[N+]2(N3C(=O)C4=CC=CC=C4C3=O)[O-])C(=O)O

InChI

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