methyl 4-(5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl)benzoate

Systemtic Name: methyl 4-(5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl)benzoate Openeye Name: methyl 4-(5-cyano-4-oxo-1H-pyrimidin-6-yl)benzoate CAS Name: 4-(5-cyano-4-oxo-1H-pyrimidin-6-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(5-cyano-4-oxo-1H-pyrimidin-6-yl)benzoate Traditional Name: 4-(5-cyano-4-keto-1H-pyrimidin-6-yl)benzoic acid methyl ester Formula: C13H9N3O3 MolecularWeight: 255.22886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C(=O)N=CN2)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C(=O)N=CN2)C#N

InChI

InChI=1S/C13H9N3O3/c1-19-13(18)9-4-2-8(3-5-9)11-10(6-14)12(17)16-7-15-11/h2-5,7H,1H3,(H,15,16,17)