2-[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]ethanenitrile

Systemtic Name: 2-[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]ethanenitrile Openeye Name: 2-[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]acetonitrile CAS Name: 2-[4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]acetonitrile IUPAC Name: 2-[4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]acetonitrile Traditional Name: 2-[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]acetonitrile Formula: C19H14N4O2 MolecularWeight: 330.34006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1CC#N)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC(=C1CC#N)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H14N4O2/c1-13-17(10-11-20)18(15-8-5-9-16(12-15)23(24)25)22-19(21-13)14-6-3-2-4-7-14/h2-9,12H,10H2,1H3