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

Systemtic Name: 1,3-bis(oxidanylidene)-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-5-carboxylate Openeye Name: 1,3-dioxo-2-[4-(4-pyridylmethyl)phenyl]isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[4-(pyridin-4-ylmethyl)phenyl]-5-isoindolecarboxylate IUPAC Name: 1,3-dioxo-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-[4-(4-pyridylmethyl)phenyl]isoindoline-5-carboxylate Formula: C21H13N2O4- MolecularWeight: 357.33892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=NC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-]

InChI

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