2-(4-chloranyl-5-nitro-6-phenyl-pyrimidin-2-yl)cyclohexan-1-one

Systemtic Name: 2-(4-chloranyl-5-nitro-6-phenyl-pyrimidin-2-yl)cyclohexan-1-one Openeye Name: 2-(4-chloro-5-nitro-6-phenyl-pyrimidin-2-yl)cyclohexanone CAS Name: 2-(4-chloro-5-nitro-6-phenyl-2-pyrimidinyl)-1-cyclohexanone IUPAC Name: 2-(4-chloro-5-nitro-6-phenylpyrimidin-2-yl)cyclohexan-1-one Traditional Name: 2-(4-chloro-5-nitro-6-phenyl-pyrimidin-2-yl)cyclohexanone Formula: C16H14ClN3O3 MolecularWeight: 331.75366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C2=NC(=C(C(=N2)Cl)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)C(C1)C2=NC(=C(C(=N2)Cl)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H14ClN3O3/c17-15-14(20(22)23)13(10-6-2-1-3-7-10)18-16(19-15)11-8-4-5-9-12(11)21/h1-3,6-7,11H,4-5,8-9H2