4-[4-[3-(2,6-dinitrophenoxy)propoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[3-(2,6-dinitrophenoxy)propoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[3-(2,6-dinitrophenoxy)propoxy]phenyl]benzonitrile CAS Name: 4-[4-[3-(2,6-dinitrophenoxy)propoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[3-(2,6-dinitrophenoxy)propoxy]phenyl]benzonitrile Traditional Name: 4-[4-[3-(2,6-dinitrophenoxy)propoxy]phenyl]benzonitrile Formula: C22H17N3O6 MolecularWeight: 419.38688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])OCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])OCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O6/c23-15-16-5-7-17(8-6-16)18-9-11-19(12-10-18)30-13-2-14-31-22-20(24(26)27)3-1-4-21(22)25(28)29/h1,3-12H,2,13-14H2