5-cyano-4-(3-methoxycarbonylphenyl)-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid

Systemtic Name: 5-cyano-4-(3-methoxycarbonylphenyl)-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 5-cyano-4-(3-methoxycarbonylphenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 5-cyano-4-(3-methoxycarbonylphenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 5-cyano-4-(3-methoxycarbonylphenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 4-(3-carbomethoxyphenyl)-5-cyano-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)O)C2=CC=CC(=C2)C(=O)OC)C#N

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)O)C2=CC=CC(=C2)C(=O)OC)C#N

InChI

InChI=1S/C15H13N3O5/c1-8-11(7-16)12(18(15(21)22)14(20)17-8)9-4-3-5-10(6-9)13(19)23-2/h3-6,12H,1-2H3,(H,17,20)(H,21,22)