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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-methyl-2-oxidanyl-benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C19H15N3O4 MolecularWeight: 349.3401

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O4/c1-12-6-7-14(16(23)10-12)19(25)26-11-17-21-15-5-3-2-4-13(15)18(24)22(17)9-8-20/h2-7,10,23H,9,11H2,1H3