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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C21H18BrNO6 MolecularWeight: 460.27472

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H18BrNO6/c1-28-10-2-9-23-19(25)16-8-5-14(11-17(16)20(23)26)21(27)29-12-18(24)13-3-6-15(22)7-4-13/h3-8,11H,2,9-10,12H2,1H3