3-hex-1-ynyl-4-isocyanato-benzenecarbonitrile

Systemtic Name: 3-hex-1-ynyl-4-isocyanato-benzenecarbonitrile Openeye Name: 3-hex-1-ynyl-4-isocyanato-benzonitrile CAS Name: 3-hex-1-ynyl-4-isocyanatobenzonitrile IUPAC Name: 3-hex-1-ynyl-4-isocyanatobenzonitrile Traditional Name: 3-hex-1-ynyl-4-isocyanato-benzonitrile Formula: C14H12N2O MolecularWeight: 224.25788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C=CC(=C1)C#N)N=C=O

Isomeric SMILES

CCCCC#CC1=C(C=CC(=C1)C#N)N=C=O

InChI

InChI=1S/C14H12N2O/c1-2-3-4-5-6-13-9-12(10-15)7-8-14(13)16-11-17/h7-9H,2-4H2,1H3