2-[2,6-bis(chloranyl)-5-propan-2-yl-pyrimidin-4-yl]-2-(3-methyl-5-nitro-phenyl)ethanenitrile

Systemtic Name: 2-[2,6-bis(chloranyl)-5-propan-2-yl-pyrimidin-4-yl]-2-(3-methyl-5-nitro-phenyl)ethanenitrile Openeye Name: 2-(2,6-dichloro-5-isopropyl-pyrimidin-4-yl)-2-(3-methyl-5-nitro-phenyl)acetonitrile CAS Name: 2-(2,6-dichloro-5-propan-2-yl-4-pyrimidinyl)-2-(3-methyl-5-nitrophenyl)acetonitrile IUPAC Name: 2-(2,6-dichloro-5-propan-2-ylpyrimidin-4-yl)-2-(3-methyl-5-nitrophenyl)acetonitrile Traditional Name: 2-(2,6-dichloro-5-isopropyl-pyrimidin-4-yl)-2-(3-methyl-5-nitro-phenyl)acetonitrile Formula: C16H14Cl2N4O2 MolecularWeight: 365.21396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)[N+](=O)[O-])C(C#N)C2=C(C(=NC(=N2)Cl)Cl)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)[N+](=O)[O-])C(C#N)C2=C(C(=NC(=N2)Cl)Cl)C(C)C

InChI

InChI=1S/C16H14Cl2N4O2/c1-8(2)13-14(20-16(18)21-15(13)17)12(7-19)10-4-9(3)5-11(6-10)22(23)24/h4-6,8,12H,1-3H3