4-(5-heptylpyrimidin-2-yl)-2-nitro-benzenecarbonitrile

Systemtic Name: 4-(5-heptylpyrimidin-2-yl)-2-nitro-benzenecarbonitrile Openeye Name: 4-(5-heptylpyrimidin-2-yl)-2-nitro-benzonitrile CAS Name: 4-(5-heptyl-2-pyrimidinyl)-2-nitrobenzonitrile IUPAC Name: 4-(5-heptylpyrimidin-2-yl)-2-nitrobenzonitrile Traditional Name: 4-(5-heptylpyrimidin-2-yl)-2-nitro-benzonitrile Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O2/c1-2-3-4-5-6-7-14-12-20-18(21-13-14)15-8-9-16(11-19)17(10-15)22(23)24/h8-10,12-13H,2-7H2,1H3