5-nitro-2-[[4-(2-phenylethynyl)phenyl]methylideneamino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[[4-(2-phenylethynyl)phenyl]methylideneamino]benzenecarbonitrile Openeye Name: 5-nitro-2-[[4-(2-phenylethynyl)phenyl]methyleneamino]benzonitrile CAS Name: 5-nitro-2-[[4-(2-phenylethynyl)phenyl]methylideneamino]benzonitrile IUPAC Name: 5-nitro-2-[[4-(2-phenylethynyl)phenyl]methylideneamino]benzonitrile Traditional Name: 5-nitro-2-[[4-(2-phenylethynyl)benzylidene]amino]benzonitrile Formula: C22H13N3O2 MolecularWeight: 351.35752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C=NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C=NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H13N3O2/c23-15-20-14-21(25(26)27)12-13-22(20)24-16-19-10-8-18(9-11-19)7-6-17-4-2-1-3-5-17/h1-5,8-14,16H