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

Systemtic Name: 3-(3-nitro-4-oxidanyl-phenyl)propanenitrile Openeye Name: 3-(4-hydroxy-3-nitro-phenyl)propanenitrile CAS Name: 3-(4-hydroxy-3-nitrophenyl)propanenitrile IUPAC Name: 3-(4-hydroxy-3-nitrophenyl)propanenitrile Traditional Name: 3-(4-hydroxy-3-nitro-phenyl)propionitrile Formula: C9H8N2O3 MolecularWeight: 192.17142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC#N)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1CCC#N)[N+](=O)[O-])O

InChI

InChI=1S/C9H8N2O3/c10-5-1-2-7-3-4-9(12)8(6-7)11(13)14/h3-4,6,12H,1-2H2