2-[3-(hydroxymethyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl]ethanenitrile

Systemtic Name: 2-[3-(hydroxymethyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl]ethanenitrile Openeye Name: 2-[3-(hydroxymethyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl]acetonitrile CAS Name: 2-[3-(hydroxymethyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl]acetonitrile IUPAC Name: 2-[3-(hydroxymethyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl]acetonitrile Traditional Name: 2-(3-methylol-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)acetonitrile Formula: C11H10N2O5 MolecularWeight: 250.2075

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(O1)C=CC(=C2CC#N)[N+](=O)[O-])CO

Isomeric SMILES

C1C(OC2=C(O1)C=CC(=C2CC#N)[N+](=O)[O-])CO

InChI

InChI=1S/C11H10N2O5/c12-4-3-8-9(13(15)16)1-2-10-11(8)18-7(5-14)6-17-10/h1-2,7,14H,3,5-6H2