[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-oxidanylnaphthalene-2-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-oxidanylnaphthalene-2-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-hydroxynaphthalene-2-carboxylate CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-hydroxynaphthalene-2-carboxylate Traditional Name: 3-hydroxynaphthalene-2-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H15N3O4 MolecularWeight: 385.3722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N)O

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N)O

InChI

InChI=1S/C22H15N3O4/c23-9-10-25-20(24-18-8-4-3-7-16(18)21(25)27)13-29-22(28)17-11-14-5-1-2-6-15(14)12-19(17)26/h1-8,11-12,26H,10,13H2