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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=C(N=C1Cl)Cl)CC2=CC(=CC(=C2)CC#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(N=C(N=C1Cl)Cl)CC2=CC(=CC(=C2)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C16H14Cl2N4O2/c1-9(2)14-13(20-16(18)21-15(14)17)8-11-5-10(3-4-19)6-12(7-11)22(23)24/h5-7,9H,3,8H2,1-2H3