(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O5/c1-2-3-11-25-20(26)16-10-9-15(12-17(16)21(25)27)22(28)29-13-18-23-19(24-30-18)14-7-5-4-6-8-14/h4-10,12H,2-3,11,13H2,1H3