4-(4-isocyano-3-nitro-phenyl)benzenecarbonitrile

Systemtic Name: 4-(4-isocyano-3-nitro-phenyl)benzenecarbonitrile Openeye Name: 4-(4-isocyano-3-nitro-phenyl)benzonitrile CAS Name: 4-(4-isocyano-3-nitrophenyl)benzonitrile IUPAC Name: 4-(4-isocyano-3-nitrophenyl)benzonitrile Traditional Name: 4-(4-isocyano-3-nitro-phenyl)benzonitrile Formula: C14H7N3O2 MolecularWeight: 249.22428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H7N3O2/c1-16-13-7-6-12(8-14(13)17(18)19)11-4-2-10(9-15)3-5-11/h2-8H