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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-methylbenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-methylbenzoate Traditional Name: 4-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=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

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

InChI

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