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

Systemtic Name: phenyl 1,3-bis(oxidanylidene)-2-(pyridin-4-ylmethyl)isoindole-5-carboxylate Openeye Name: phenyl 1,3-dioxo-2-(4-pyridylmethyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(pyridin-4-ylmethyl)-5-isoindolecarboxylic acid phenyl ester IUPAC Name: phenyl 1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-pyridylmethyl)isoindoline-5-carboxylic acid phenyl ester Formula: C21H14N2O4 MolecularWeight: 358.34686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O4/c24-19-17-7-6-15(21(26)27-16-4-2-1-3-5-16)12-18(17)20(25)23(19)13-14-8-10-22-11-9-14/h1-12H,13H2