2-(6-bromanyl-3-nitro-pyridin-2-yl)-2-(2-butylphenyl)ethanenitrile

Systemtic Name: 2-(6-bromanyl-3-nitro-pyridin-2-yl)-2-(2-butylphenyl)ethanenitrile Openeye Name: 2-(6-bromo-3-nitro-2-pyridyl)-2-(2-butylphenyl)acetonitrile CAS Name: 2-(6-bromo-3-nitro-2-pyridinyl)-2-(2-butylphenyl)acetonitrile IUPAC Name: 2-(6-bromo-3-nitropyridin-2-yl)-2-(2-butylphenyl)acetonitrile Traditional Name: 2-(6-bromo-3-nitro-2-pyridyl)-2-(2-butylphenyl)acetonitrile Formula: C17H16BrN3O2 MolecularWeight: 374.23184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C(C#N)C2=C(C=CC(=N2)Br)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=CC=C1C(C#N)C2=C(C=CC(=N2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrN3O2/c1-2-3-6-12-7-4-5-8-13(12)14(11-19)17-15(21(22)23)9-10-16(18)20-17/h4-5,7-10,14H,2-3,6H2,1H3