ethyl 5-cyano-4-(3-methoxycarbonylphenyl)-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylate

Systemtic Name: ethyl 5-cyano-4-(3-methoxycarbonylphenyl)-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylate Openeye Name: ethyl 5-cyano-4-(3-methoxycarbonylphenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate CAS Name: 5-cyano-4-(3-methoxycarbonylphenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-4-(3-methoxycarbonylphenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate Traditional Name: 4-(3-carbomethoxyphenyl)-5-cyano-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCOC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C17H17N3O5/c1-4-25-17(23)20-14(13(9-18)10(2)19-16(20)22)11-6-5-7-12(8-11)15(21)24-3/h5-8,14H,4H2,1-3H3,(H,19,22)