[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 1H-pyrrole-2-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 1H-pyrrole-2-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C16H12N4O3 MolecularWeight: 308.29148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC=CN3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC=CN3)CC#N

InChI

InChI=1S/C16H12N4O3/c17-7-9-20-14(10-23-16(22)13-6-3-8-18-13)19-12-5-2-1-4-11(12)15(20)21/h1-6,8,18H,9-10H2