[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(4-chloranyl-2-methyl-phenoxy)ethanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(4-chloranyl-2-methyl-phenoxy)ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(4-chloro-2-methyl-phenoxy)acetate CAS Name: 2-(4-chloro-2-methylphenoxy)acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(4-chloro-2-methylphenoxy)acetate Traditional Name: 2-(4-chloro-2-methyl-phenoxy)acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H16ClN3O4 MolecularWeight: 397.81174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O4/c1-13-10-14(21)6-7-17(13)27-12-19(25)28-11-18-23-16-5-3-2-4-15(16)20(26)24(18)9-8-22/h2-7,10H,9,11-12H2,1H3