(2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-(4-oxidanylidene-[1]benzofuro[3,2-d]pyrimidin-3-yl)ethanoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-(4-oxidanylidene-[1]benzofuro[3,2-d]pyrimidin-3-yl)ethanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 2-(4-oxobenzofuro[3,2-d]pyrimidin-3-yl)acetate CAS Name: 2-(4-oxo-3-benzofuro[3,2-d]pyrimidinyl)acetic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate Traditional Name: 2-(4-ketobenzofuro[3,2-d]pyrimidin-3-yl)acetic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C21H14BrN3O5 MolecularWeight: 468.25696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43

InChI

InChI=1S/C21H14BrN3O5/c1-2-28-16-8-12(9-23)7-14(22)19(16)30-17(26)10-25-11-24-18-13-5-3-4-6-15(13)29-20(18)21(25)27/h3-8,11H,2,10H2,1H3