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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-chloranylpyridine-3-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C17H11ClN4O3 MolecularWeight: 354.74724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=C(N=CC=C3)Cl)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=C(N=CC=C3)Cl)CC#N

InChI

InChI=1S/C17H11ClN4O3/c18-15-12(5-3-8-20-15)17(24)25-10-14-21-13-6-2-1-4-11(13)16(23)22(14)9-7-19/h1-6,8H,9-10H2