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

Systemtic Name: 4-(3-nitro-4-oxidanyl-phenyl)benzenecarbonitrile Openeye Name: 4-(4-hydroxy-3-nitro-phenyl)benzonitrile CAS Name: 4-(4-hydroxy-3-nitrophenyl)benzonitrile IUPAC Name: 4-(4-hydroxy-3-nitrophenyl)benzonitrile Traditional Name: 4-(4-hydroxy-3-nitro-phenyl)benzonitrile Formula: C13H8N2O3 MolecularWeight: 240.21422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O3/c14-8-9-1-3-10(4-2-9)11-5-6-13(16)12(7-11)15(17)18/h1-7,16H