[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5-(4-nitrophenyl)furan-2-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5-(4-nitrophenyl)furan-2-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 5-(4-nitrophenyl)furan-2-carboxylate CAS Name: 5-(4-nitrophenyl)-2-furancarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 5-(4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(4-nitrophenyl)furan-2-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H14N4O6 MolecularWeight: 430.36976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])CC#N

InChI

InChI=1S/C22H14N4O6/c23-11-12-25-20(24-17-4-2-1-3-16(17)21(25)27)13-31-22(28)19-10-9-18(32-19)14-5-7-15(8-6-14)26(29)30/h1-10H,12-13H2