3-(2-nitro-1-oxidanyl-ethyl)benzenecarbonitrile

Systemtic Name: 3-(2-nitro-1-oxidanyl-ethyl)benzenecarbonitrile Openeye Name: 3-(1-hydroxy-2-nitro-ethyl)benzonitrile CAS Name: 3-(1-hydroxy-2-nitroethyl)benzonitrile IUPAC Name: 3-(1-hydroxy-2-nitroethyl)benzonitrile Traditional Name: 3-(1-hydroxy-2-nitro-ethyl)benzonitrile Formula: C9H8N2O3 MolecularWeight: 192.17142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O3/c10-5-7-2-1-3-8(4-7)9(12)6-11(13)14/h1-4,9,12H,6H2