4-(cyanomethyl)-2-(2,2-dimethylpropyl)-5-nitro-benzenecarbonitrile

Systemtic Name: 4-(cyanomethyl)-2-(2,2-dimethylpropyl)-5-nitro-benzenecarbonitrile Openeye Name: 4-(cyanomethyl)-2-(2,2-dimethylpropyl)-5-nitro-benzonitrile CAS Name: 4-(cyanomethyl)-2-(2,2-dimethylpropyl)-5-nitrobenzonitrile IUPAC Name: 4-(cyanomethyl)-2-(2,2-dimethylpropyl)-5-nitrobenzonitrile Traditional Name: 4-(cyanomethyl)-2-neopentyl-5-nitro-benzonitrile Formula: C14H15N3O2 MolecularWeight: 257.2878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC(=C(C=C1C#N)[N+](=O)[O-])CC#N

Isomeric SMILES

CC(C)(C)CC1=CC(=C(C=C1C#N)[N+](=O)[O-])CC#N

InChI

InChI=1S/C14H15N3O2/c1-14(2,3)8-11-6-10(4-5-15)13(17(18)19)7-12(11)9-16/h6-7H,4,8H2,1-3H3