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

Systemtic Name: 2-(3-chloranyl-4-nitro-phenyl)ethanenitrile Openeye Name: 2-(3-chloro-4-nitro-phenyl)acetonitrile CAS Name: 2-(3-chloro-4-nitrophenyl)acetonitrile IUPAC Name: 2-(3-chloro-4-nitrophenyl)acetonitrile Traditional Name: 2-(3-chloro-4-nitro-phenyl)acetonitrile Formula: C8H5ClN2O2 MolecularWeight: 196.5905

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC#N)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1CC#N)Cl)[N+](=O)[O-]

InChI

InChI=1S/C8H5ClN2O2/c9-7-5-6(3-4-10)1-2-8(7)11(12)13/h1-2,5H,3H2