pentyl 2-(3-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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