4,6-ditert-butyl-3-chloranyl-2-nitro-benzenecarbonitrile

Systemtic Name: 4,6-ditert-butyl-3-chloranyl-2-nitro-benzenecarbonitrile Openeye Name: 4,6-ditert-butyl-3-chloro-2-nitro-benzonitrile CAS Name: 4,6-ditert-butyl-3-chloro-2-nitrobenzonitrile IUPAC Name: 4,6-ditert-butyl-3-chloro-2-nitrobenzonitrile Traditional Name: 4,6-ditert-butyl-3-chloro-2-nitro-benzonitrile Formula: C15H19ClN2O2 MolecularWeight: 294.77656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O2/c1-14(2,3)10-7-11(15(4,5)6)12(16)13(18(19)20)9(10)8-17/h7H,1-6H3