3-nitro-5-(2-oxidanylethanoyl)benzenecarbonitrile

Systemtic Name: 3-nitro-5-(2-oxidanylethanoyl)benzenecarbonitrile Openeye Name: 3-(2-hydroxyacetyl)-5-nitro-benzonitrile CAS Name: 3-(2-hydroxy-1-oxoethyl)-5-nitrobenzonitrile IUPAC Name: 3-(2-hydroxyacetyl)-5-nitrobenzonitrile Traditional Name: 3-glycoloyl-5-nitro-benzonitrile Formula: C9H6N2O4 MolecularWeight: 206.15494

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)CO)[N+](=O)[O-])C#N

Isomeric SMILES

C1=C(C=C(C=C1C(=O)CO)[N+](=O)[O-])C#N

InChI

InChI=1S/C9H6N2O4/c10-4-6-1-7(9(13)5-12)3-8(2-6)11(14)15/h1-3,12H,5H2