3-[[2-(4-methoxyphenyl)-4-nitro-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 3-[[2-(4-methoxyphenyl)-4-nitro-phenoxy]methyl]benzenecarbonitrile Openeye Name: 3-[[2-(4-methoxyphenyl)-4-nitro-phenoxy]methyl]benzonitrile CAS Name: 3-[[2-(4-methoxyphenyl)-4-nitrophenoxy]methyl]benzonitrile IUPAC Name: 3-[[2-(4-methoxyphenyl)-4-nitrophenoxy]methyl]benzonitrile Traditional Name: 3-[[2-(4-methoxyphenyl)-4-nitro-phenoxy]methyl]benzonitrile Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H16N2O4/c1-26-19-8-5-17(6-9-19)20-12-18(23(24)25)7-10-21(20)27-14-16-4-2-3-15(11-16)13-22/h2-12H,14H2,1H3