4-(2,6-dinitro-3-oxidanyl-cyclohexyl)benzenecarbonitrile

Systemtic Name: 4-(2,6-dinitro-3-oxidanyl-cyclohexyl)benzenecarbonitrile Openeye Name: 4-(3-hydroxy-2,6-dinitro-cyclohexyl)benzonitrile CAS Name: 4-(3-hydroxy-2,6-dinitrocyclohexyl)benzonitrile IUPAC Name: 4-(3-hydroxy-2,6-dinitrocyclohexyl)benzonitrile Traditional Name: 4-(3-hydroxy-2,6-dinitro-cyclohexyl)benzonitrile Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1[N+](=O)[O-])C2=CC=C(C=C2)C#N)[N+](=O)[O-])O

Isomeric SMILES

C1CC(C(C(C1[N+](=O)[O-])C2=CC=C(C=C2)C#N)[N+](=O)[O-])O

InChI

InChI=1S/C13H13N3O5/c14-7-8-1-3-9(4-2-8)12-10(15(18)19)5-6-11(17)13(12)16(20)21/h1-4,10-13,17H,5-6H2