[(1R)-1-cyanoethyl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate Openeye Name: [(1R)-1-cyanoethyl] 2-(4-oxoquinazolin-3-yl)acetate CAS Name: 2-(4-oxo-3-quinazolinyl)acetic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-(4-oxoquinazolin-3-yl)acetate Traditional Name: 2-(4-ketoquinazolin-3-yl)acetic acid [(1R)-1-cyanoethyl] ester Formula: C13H11N3O3 MolecularWeight: 257.24474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CN1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

C[C@H](C#N)OC(=O)CN1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C13H11N3O3/c1-9(6-14)19-12(17)7-16-8-15-11-5-3-2-4-10(11)13(16)18/h2-5,8-9H,7H2,1H3/t9-/m1/s1