4-[3-(4-chlorophenyl)phenyl]-5-cyano-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid

Systemtic Name: 4-[3-(4-chlorophenyl)phenyl]-5-cyano-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 4-[3-(4-chlorophenyl)phenyl]-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 4-[3-(4-chlorophenyl)phenyl]-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 4-[3-(4-chlorophenyl)phenyl]-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 4-[3-(4-chlorophenyl)phenyl]-5-cyano-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid Formula: C19H14ClN3O3 MolecularWeight: 367.78576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)O)C2=CC=CC(=C2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)O)C2=CC=CC(=C2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C19H14ClN3O3/c1-11-16(10-21)17(23(19(25)26)18(24)22-11)14-4-2-3-13(9-14)12-5-7-15(20)8-6-12/h2-9,17H,1H3,(H,22,24)(H,25,26)