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

Systemtic Name: 4-tert-butyl-3-(cyanomethyl)-5-nitro-benzenecarbonitrile Openeye Name: 4-tert-butyl-3-(cyanomethyl)-5-nitro-benzonitrile CAS Name: 4-tert-butyl-3-(cyanomethyl)-5-nitrobenzonitrile IUPAC Name: 4-tert-butyl-3-(cyanomethyl)-5-nitrobenzonitrile Traditional Name: 4-tert-butyl-3-(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=C(C=C1[N+](=O)[O-])C#N)CC#N

Isomeric SMILES

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

InChI

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