4-isocyanato-3,5-di(propan-2-yl)benzenecarbonitrile

Systemtic Name: 4-isocyanato-3,5-di(propan-2-yl)benzenecarbonitrile Openeye Name: 4-isocyanato-3,5-diisopropyl-benzonitrile CAS Name: 4-isocyanato-3,5-di(propan-2-yl)benzonitrile IUPAC Name: 4-isocyanato-3,5-di(propan-2-yl)benzonitrile Traditional Name: 4-isocyanato-3,5-diisopropyl-benzonitrile Formula: C14H16N2O MolecularWeight: 228.28964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1N=C=O)C(C)C)C#N

Isomeric SMILES

CC(C)C1=CC(=CC(=C1N=C=O)C(C)C)C#N

InChI

InChI=1S/C14H16N2O/c1-9(2)12-5-11(7-15)6-13(10(3)4)14(12)16-8-17/h5-6,9-10H,1-4H3