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

Systemtic Name: 4-(5-heptylpyridin-2-yl)-2-nitro-benzenecarbonitrile Openeye Name: 4-(5-heptyl-2-pyridyl)-2-nitro-benzonitrile CAS Name: 4-(5-heptyl-2-pyridinyl)-2-nitrobenzonitrile IUPAC Name: 4-(5-heptylpyridin-2-yl)-2-nitrobenzonitrile Traditional Name: 4-(5-heptyl-2-pyridyl)-2-nitro-benzonitrile Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2/c1-2-3-4-5-6-7-15-8-11-18(21-14-15)16-9-10-17(13-20)19(12-16)22(23)24/h8-12,14H,2-7H2,1H3