3-(3-nitro-4-oxidanyl-phenoxy)propanenitrile

Systemtic Name: 3-(3-nitro-4-oxidanyl-phenoxy)propanenitrile Openeye Name: 3-(4-hydroxy-3-nitro-phenoxy)propanenitrile CAS Name: 3-(4-hydroxy-3-nitrophenoxy)propanenitrile IUPAC Name: 3-(4-hydroxy-3-nitrophenoxy)propanenitrile Traditional Name: 3-(4-hydroxy-3-nitro-phenoxy)propionitrile Formula: C9H8N2O4 MolecularWeight: 208.17082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OCCC#N)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1OCCC#N)[N+](=O)[O-])O

InChI

InChI=1S/C9H8N2O4/c10-4-1-5-15-7-2-3-9(12)8(6-7)11(13)14/h2-3,6,12H,1,5H2