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

Systemtic Name: (4-ethoxycarbonylphenyl)methyl 2-(3-chloranyl-2-methyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-ethoxycarbonylphenyl)methyl 2-(3-chloro-2-methyl-phenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-chloro-2-methylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid (4-ethoxycarbonylphenyl)methyl ester IUPAC Name: (4-ethoxycarbonylphenyl)methyl 2-(3-chloro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(3-chloro-2-methyl-phenyl)-1,3-diketo-isoindoline-5-carboxylic acid (4-carbethoxybenzyl) ester Formula: C26H20ClNO6 MolecularWeight: 477.8931

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=C(C(=CC=C4)Cl)C

InChI

InChI=1S/C26H20ClNO6/c1-3-33-25(31)17-9-7-16(8-10-17)14-34-26(32)18-11-12-19-20(13-18)24(30)28(23(19)29)22-6-4-5-21(27)15(22)2/h4-13H,3,14H2,1-2H3