[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzoxazol-3-yl)propanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzoxazol-3-yl)propionic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H16N4O5 MolecularWeight: 404.37554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CCN3C4=CC=CC=C4OC3=O)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CCN3C4=CC=CC=C4OC3=O)CC#N

InChI

InChI=1S/C21H16N4O5/c22-10-12-25-18(23-15-6-2-1-5-14(15)20(25)27)13-29-19(26)9-11-24-16-7-3-4-8-17(16)30-21(24)28/h1-8H,9,11-13H2