[2-(3-bromanyl-4-methoxy-phenyl)-4-oxidanylidene-chromen-3-yl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-4-oxidanylidene-chromen-3-yl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-4-oxo-chromen-3-yl] 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid [2-(3-bromo-4-methoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-4-oxochromen-3-yl] 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid [2-(3-bromo-4-methoxy-phenyl)-4-keto-chromen-3-yl] ester Formula: C27H18BrNO7 MolecularWeight: 548.33832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)CCN4C(=O)C5=CC=CC=C5C4=O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)CCN4C(=O)C5=CC=CC=C5C4=O)Br

InChI

InChI=1S/C27H18BrNO7/c1-34-21-11-10-15(14-19(21)28)24-25(23(31)18-8-4-5-9-20(18)35-24)36-22(30)12-13-29-26(32)16-6-2-3-7-17(16)27(29)33/h2-11,14H,12-13H2,1H3