(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(5-bromo-1,3-dioxo-2-isoindolyl)propanoic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propionic acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C23H18BrNO6 MolecularWeight: 484.29612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C23H18BrNO6/c1-3-13-9-16-12(2)8-21(27)31-19(16)11-18(13)30-20(26)6-7-25-22(28)15-5-4-14(24)10-17(15)23(25)29/h4-5,8-11H,3,6-7H2,1-2H3