2-(3-chloranyl-4-isocyanato-phenyl)ethanenitrile

Systemtic Name: 2-(3-chloranyl-4-isocyanato-phenyl)ethanenitrile Openeye Name: 2-(3-chloro-4-isocyanato-phenyl)acetonitrile CAS Name: 2-(3-chloro-4-isocyanatophenyl)acetonitrile IUPAC Name: 2-(3-chloro-4-isocyanatophenyl)acetonitrile Traditional Name: 2-(3-chloro-4-isocyanato-phenyl)acetonitrile Formula: C9H5ClN2O MolecularWeight: 192.6018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC#N)Cl)N=C=O

Isomeric SMILES

C1=CC(=C(C=C1CC#N)Cl)N=C=O

InChI

InChI=1S/C9H5ClN2O/c10-8-5-7(3-4-11)1-2-9(8)12-6-13/h1-2,5H,3H2