4-[[3-[cyano(isocyano)methyl]phenyl]-oxidanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[cyano(isocyano)methyl]phenyl]-oxidanyl-methyl]benzenecarbonitrile Openeye Name: 4-[[3-[cyano(isocyano)methyl]phenyl]-hydroxy-methyl]benzonitrile CAS Name: 4-[[3-[cyano(isocyano)methyl]phenyl]-hydroxymethyl]benzonitrile IUPAC Name: 4-[[3-[cyano(isocyano)methyl]phenyl]-hydroxymethyl]benzonitrile Traditional Name: 4-[[3-[cyano(isocyano)methyl]phenyl]-hydroxy-methyl]benzonitrile Formula: C17H11N3O MolecularWeight: 273.28874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3O/c1-20-16(11-19)14-3-2-4-15(9-14)17(21)13-7-5-12(10-18)6-8-13/h2-9,16-17,21H