3-tert-butyl-4-(cyanomethyl)-5-nitro-benzenecarbonitrile

Systemtic Name: 3-tert-butyl-4-(cyanomethyl)-5-nitro-benzenecarbonitrile Openeye Name: 3-tert-butyl-4-(cyanomethyl)-5-nitro-benzonitrile CAS Name: 3-tert-butyl-4-(cyanomethyl)-5-nitrobenzonitrile IUPAC Name: 3-tert-butyl-4-(cyanomethyl)-5-nitrobenzonitrile Traditional Name: 3-tert-butyl-4-(cyanomethyl)-5-nitro-benzonitrile Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O2/c1-13(2,3)11-6-9(8-15)7-12(16(17)18)10(11)4-5-14/h6-7H,4H2,1-3H3