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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4

InChI

InChI=1S/C23H16N2O5/c26-20(16-6-2-1-3-7-16)14-30-23(29)17-8-9-18-19(11-17)22(28)25(21(18)27)13-15-5-4-10-24-12-15/h1-12H,13-14H2