(4-ethanoylphenyl) 1,3-bis(oxidanylidene)-2-(pyridin-4-ylmethyl)isoindole-5-carboxylate

Systemtic Name: (4-ethanoylphenyl) 1,3-bis(oxidanylidene)-2-(pyridin-4-ylmethyl)isoindole-5-carboxylate Openeye Name: (4-acetylphenyl) 1,3-dioxo-2-(4-pyridylmethyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(pyridin-4-ylmethyl)-5-isoindolecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-pyridylmethyl)isoindoline-5-carboxylic acid (4-acetylphenyl) ester Formula: C23H16N2O5 MolecularWeight: 400.38354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=NC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=NC=C4

InChI

InChI=1S/C23H16N2O5/c1-14(26)16-2-5-18(6-3-16)30-23(29)17-4-7-19-20(12-17)22(28)25(21(19)27)13-15-8-10-24-11-9-15/h2-12H,13H2,1H3