(4R)-4-(4-cyanophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylate

Systemtic Name: (4R)-4-(4-cyanophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylate Openeye Name: (4R)-4-(4-cyanophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate CAS Name: (4R)-4-(4-cyanophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate IUPAC Name: (4R)-4-(4-cyanophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate Traditional Name: (4R)-4-(4-cyanophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-6-carboxylate Formula: C12H8N3O3- MolecularWeight: 242.21022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2C=C(NC(=O)N2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)[C@H]2C=C(NC(=O)N2)C(=O)[O-]

InChI

InChI=1S/C12H9N3O3/c13-6-7-1-3-8(4-2-7)9-5-10(11(16)17)15-12(18)14-9/h1-5,9H,(H,16,17)(H2,14,15,18)/p-1/t9-/m1/s1