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

Systemtic Name: 5-cyano-6-methyl-2-oxidanylidene-4-(2-prop-2-enoxyphenyl)-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 4-(2-allyloxyphenyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 5-cyano-6-methyl-2-oxo-4-(2-prop-2-enoxyphenyl)-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 5-cyano-6-methyl-2-oxo-4-(2-prop-2-enoxyphenyl)-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 4-(2-allyloxyphenyl)-5-cyano-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)O)C2=CC=CC=C2OCC=C)C#N

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)O)C2=CC=CC=C2OCC=C)C#N

InChI

InChI=1S/C16H15N3O4/c1-3-8-23-13-7-5-4-6-11(13)14-12(9-17)10(2)18-15(20)19(14)16(21)22/h3-7,14H,1,8H2,2H3,(H,18,20)(H,21,22)