2-[3-(hydroxymethyl)phenyl]-2-nitro-ethanenitrile

Systemtic Name: 2-[3-(hydroxymethyl)phenyl]-2-nitro-ethanenitrile Openeye Name: 2-[3-(hydroxymethyl)phenyl]-2-nitro-acetonitrile CAS Name: 2-[3-(hydroxymethyl)phenyl]-2-nitroacetonitrile IUPAC Name: 2-[3-(hydroxymethyl)phenyl]-2-nitroacetonitrile Traditional Name: 2-(3-methylolphenyl)-2-nitro-acetonitrile Formula: C9H8N2O3 MolecularWeight: 192.17142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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