ethyl 4-[2-(cyanomethoxy)phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-(cyanomethoxy)phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(cyanomethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[2-(cyanomethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(cyanomethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[2-(cyanomethoxy)phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2OCC#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2OCC#N)C

InChI

InChI=1S/C16H17N3O4/c1-3-22-15(20)13-10(2)18-16(21)19-14(13)11-6-4-5-7-12(11)23-9-8-17/h4-7,14H,3,9H2,1-2H3,(H2,18,19,21)