2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid 2-phthalimidoethyl ester Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C16H12N2O5/c19-14-12-3-1-2-4-13(12)15(20)18(14)9-10-23-16(21)11-5-7-17(22)8-6-11/h1-8H,9-10H2