(4E)-4-methoxyimino-1-(4-pyrimidin-5-ylphenyl)carbonyl-pyrrolidine-2-carboxylate

Systemtic Name: (4E)-4-methoxyimino-1-(4-pyrimidin-5-ylphenyl)carbonyl-pyrrolidine-2-carboxylate Openeye Name: (4E)-4-methoxyimino-1-(4-pyrimidin-5-ylbenzoyl)pyrrolidine-2-carboxylate CAS Name: (4E)-4-methoxyimino-1-[oxo-[4-(5-pyrimidinyl)phenyl]methyl]-2-pyrrolidinecarboxylate IUPAC Name: (4E)-4-methoxyimino-1-(4-pyrimidin-5-ylbenzoyl)pyrrolidine-2-carboxylate Traditional Name: (4E)-4-methyloximino-1-[4-(5-pyrimidyl)benzoyl]pyrrolidine-2-carboxylate Formula: C17H15N4O4- MolecularWeight: 339.3254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CON=C1CC(N(C1)C(=O)C2=CC=C(C=C2)C3=CN=CN=C3)C(=O)[O-]

Isomeric SMILES

CO/N=C/1\CC(N(C1)C(=O)C2=CC=C(C=C2)C3=CN=CN=C3)C(=O)[O-]

InChI

InChI=1S/C17H16N4O4/c1-25-20-14-6-15(17(23)24)21(9-14)16(22)12-4-2-11(3-5-12)13-7-18-10-19-8-13/h2-5,7-8,10,15H,6,9H2,1H3,(H,23,24)/p-1/b20-14+