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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(1,2-benzoxazol-3-yl)ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(1,2-benzoxazol-3-yl)acetate CAS Name: 2-(1,2-benzoxazol-3-yl)acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(1,2-benzoxazol-3-yl)acetate Traditional Name: 2-indoxazen-3-ylacetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H14N4O4 MolecularWeight: 374.34956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CC3=NOC4=CC=CC=C43)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CC3=NOC4=CC=CC=C43)CC#N

InChI

InChI=1S/C20H14N4O4/c21-9-10-24-18(22-15-7-3-1-6-14(15)20(24)26)12-27-19(25)11-16-13-5-2-4-8-17(13)28-23-16/h1-8H,10-12H2