(2-bromanyl-4,5-diethoxy-phenyl)methyl 2-(4-oxidanylidenequinazolin-3-yl)ethanoate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 2-(4-oxidanylidenequinazolin-3-yl)ethanoate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 2-(4-oxoquinazolin-3-yl)acetate CAS Name: 2-(4-oxo-3-quinazolinyl)acetic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 2-(4-oxoquinazolin-3-yl)acetate Traditional Name: 2-(4-ketoquinazolin-3-yl)acetic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)CN2C=NC3=CC=CC=C3C2=O)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)CN2C=NC3=CC=CC=C3C2=O)Br)OCC

InChI

InChI=1S/C21H21BrN2O5/c1-3-27-18-9-14(16(22)10-19(18)28-4-2)12-29-20(25)11-24-13-23-17-8-6-5-7-15(17)21(24)26/h5-10,13H,3-4,11-12H2,1-2H3