3-(4-chloranyl-5-nitro-6-phenyl-pyrimidin-2-yl)-1-(phenylcarbonyl)piperidin-4-one

Systemtic Name: 3-(4-chloranyl-5-nitro-6-phenyl-pyrimidin-2-yl)-1-(phenylcarbonyl)piperidin-4-one Openeye Name: 1-benzoyl-3-(4-chloro-5-nitro-6-phenyl-pyrimidin-2-yl)piperidin-4-one CAS Name: 1-benzoyl-3-(4-chloro-5-nitro-6-phenyl-2-pyrimidinyl)-4-piperidinone IUPAC Name: 1-benzoyl-3-(4-chloro-5-nitro-6-phenylpyrimidin-2-yl)piperidin-4-one Traditional Name: 1-benzoyl-3-(4-chloro-5-nitro-6-phenyl-pyrimidin-2-yl)-4-piperidone Formula: C22H17ClN4O4 MolecularWeight: 436.84778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1=O)C2=NC(=C(C(=N2)Cl)[N+](=O)[O-])C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC(C1=O)C2=NC(=C(C(=N2)Cl)[N+](=O)[O-])C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H17ClN4O4/c23-20-19(27(30)31)18(14-7-3-1-4-8-14)24-21(25-20)16-13-26(12-11-17(16)28)22(29)15-9-5-2-6-10-15/h1-10,16H,11-13H2