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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-methylbenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C19H15N3O3 MolecularWeight: 333.3407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C19H15N3O3/c1-13-5-4-6-14(11-13)19(24)25-12-17-21-16-8-3-2-7-15(16)18(23)22(17)10-9-20/h2-8,11H,10,12H2,1H3