pentyl 2-(3-chloranyl-4-methyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: pentyl 2-(3-chloranyl-4-methyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: pentyl 2-(3-chloro-4-methyl-phenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-chloro-4-methylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid pentyl ester IUPAC Name: pentyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(3-chloro-4-methyl-phenyl)-1,3-diketo-isoindoline-5-carboxylic acid amyl ester Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO4/c1-3-4-5-10-27-21(26)14-7-9-16-17(11-14)20(25)23(19(16)24)15-8-6-13(2)18(22)12-15/h6-9,11-12H,3-5,10H2,1-2H3