2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid 2-phthalimidoethyl ester Formula: C21H18BrNO6 MolecularWeight: 460.27472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H18BrNO6/c1-28-18-8-6-13(22)12-16(18)17(24)7-9-19(25)29-11-10-23-20(26)14-4-2-3-5-15(14)21(23)27/h2-6,8,12H,7,9-11H2,1H3