methyl 3-(5-cyano-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl)benzoate

Systemtic Name: methyl 3-(5-cyano-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl)benzoate Openeye Name: methyl 3-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzoate CAS Name: 3-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid methyl ester IUPAC Name: methyl 3-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzoate Traditional Name: 3-(5-cyano-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid methyl ester Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3/c1-8-11(7-15)12(17-14(19)16-8)9-4-3-5-10(6-9)13(18)20-2/h3-6,12H,1-2H3,(H2,16,17,19)