cyclohexyl 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: cyclohexyl 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: cyclohexyl 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(5-bromo-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)benzoic acid cyclohexyl ester Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H18BrNO4/c22-14-8-11-17-18(12-14)20(25)23(19(17)24)15-9-6-13(7-10-15)21(26)27-16-4-2-1-3-5-16/h6-12,16H,1-5H2