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

Systemtic Name: 4-(3-carboxyphenyl)-5-cyano-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 4-(3-carboxyphenyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 4-(3-carboxyphenyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 4-(3-carboxyphenyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 4-(3-carboxyphenyl)-5-cyano-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid Formula: C14H11N3O5 MolecularWeight: 301.25424

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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)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O5/c1-7-10(6-15)11(17(14(21)22)13(20)16-7)8-3-2-4-9(5-8)12(18)19/h2-5,11H,1H3,(H,16,20)(H,18,19)(H,21,22)