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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindole-5-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 1,3-dioxo-2-(3-pyridylmethyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(3-pyridinylmethyl)-5-isoindolecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-pyridylmethyl)isoindoline-5-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C23H15BrN2O5 MolecularWeight: 479.2796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H15BrN2O5/c24-17-6-3-15(4-7-17)20(27)13-31-23(30)16-5-8-18-19(10-16)22(29)26(21(18)28)12-14-2-1-9-25-11-14/h1-11H,12-13H2