(2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C20H15BrN2O5 MolecularWeight: 443.2475

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H15BrN2O5/c1-2-27-16-10-12(11-22)9-15(21)18(16)28-17(24)7-8-23-19(25)13-5-3-4-6-14(13)20(23)26/h3-6,9-10H,2,7-8H2,1H3