2-tert-butyl-4-(2-methylpropyl)-3-nitro-benzenecarbonitrile

Systemtic Name: 2-tert-butyl-4-(2-methylpropyl)-3-nitro-benzenecarbonitrile Openeye Name: 2-tert-butyl-4-isobutyl-3-nitro-benzonitrile CAS Name: 2-tert-butyl-4-(2-methylpropyl)-3-nitrobenzonitrile IUPAC Name: 2-tert-butyl-4-(2-methylpropyl)-3-nitrobenzonitrile Traditional Name: 2-tert-butyl-4-isobutyl-3-nitro-benzonitrile Formula: C15H20N2O2 MolecularWeight: 260.3315

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=C(C=C1)C#N)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=C(C(=C(C=C1)C#N)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O2/c1-10(2)8-11-6-7-12(9-16)13(15(3,4)5)14(11)17(18)19/h6-7,10H,8H2,1-5H3