2-[4-nitro-3-(oxan-2-yloxymethyl)phenyl]-2-phenyl-ethanenitrile

Systemtic Name: 2-[4-nitro-3-(oxan-2-yloxymethyl)phenyl]-2-phenyl-ethanenitrile Openeye Name: 2-[4-nitro-3-(tetrahydropyran-2-yloxymethyl)phenyl]-2-phenyl-acetonitrile CAS Name: 2-[4-nitro-3-(2-oxanyloxymethyl)phenyl]-2-phenylacetonitrile IUPAC Name: 2-[4-nitro-3-(oxan-2-yloxymethyl)phenyl]-2-phenylacetonitrile Traditional Name: 2-[4-nitro-3-(tetrahydropyran-2-yloxymethyl)phenyl]-2-phenyl-acetonitrile Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=C(C=CC(=C2)C(C#N)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCOC(C1)OCC2=C(C=CC(=C2)C(C#N)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O4/c21-13-18(15-6-2-1-3-7-15)16-9-10-19(22(23)24)17(12-16)14-26-20-8-4-5-11-25-20/h1-3,6-7,9-10,12,18,20H,4-5,8,11,14H2