butyl 2-(2,5-dimethylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: butyl 2-(2,5-dimethylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: butyl 2-(2,5-dimethylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2,5-dimethylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid butyl ester IUPAC Name: butyl 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(2,5-dimethylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid butyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H21NO4/c1-4-5-10-26-21(25)15-8-9-16-17(12-15)20(24)22(19(16)23)18-11-13(2)6-7-14(18)3/h6-9,11-12H,4-5,10H2,1-3H3