2-(5-methoxy-2-nitro-phenyl)-2-octyl-decanenitrile

Systemtic Name: 2-(5-methoxy-2-nitro-phenyl)-2-octyl-decanenitrile Openeye Name: 2-(5-methoxy-2-nitro-phenyl)-2-octyl-decanenitrile CAS Name: 2-(5-methoxy-2-nitrophenyl)-2-octyldecanenitrile IUPAC Name: 2-(5-methoxy-2-nitrophenyl)-2-octyldecanenitrile Traditional Name: 2-(5-methoxy-2-nitro-phenyl)-2-octyl-capronitrile Formula: C25H40N2O3 MolecularWeight: 416.5967

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)(C#N)C1=C(C=CC(=C1)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)(C#N)C1=C(C=CC(=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H40N2O3/c1-4-6-8-10-12-14-18-25(21-26,19-15-13-11-9-7-5-2)23-20-22(30-3)16-17-24(23)27(28)29/h16-17,20H,4-15,18-19H2,1-3H3