5-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-nitro-benzenecarbonitrile

Systemtic Name: 5-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-nitro-benzenecarbonitrile Openeye Name: 5-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-nitro-benzonitrile CAS Name: 5-(3,5-ditert-butyl-4-hydroxyphenyl)-2-nitrobenzonitrile IUPAC Name: 5-(3,5-ditert-butyl-4-hydroxyphenyl)-2-nitrobenzonitrile Traditional Name: 5-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-nitro-benzonitrile Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H24N2O3/c1-20(2,3)16-10-14(11-17(19(16)24)21(4,5)6)13-7-8-18(23(25)26)15(9-13)12-22/h7-11,24H,1-6H3