[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 9H-xanthene-9-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 9H-xanthene-9-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C25H17N3O4 MolecularWeight: 423.42018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC4=NC5=CC=CC=C5C(=O)N4CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC4=NC5=CC=CC=C5C(=O)N4CC#N

InChI

InChI=1S/C25H17N3O4/c26-13-14-28-22(27-19-10-4-1-7-16(19)24(28)29)15-31-25(30)23-17-8-2-5-11-20(17)32-21-12-6-3-9-18(21)23/h1-12,23H,14-15H2