4-[4-(2-methylbutan-2-yl)phenoxy]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-(2-methylbutan-2-yl)phenoxy]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(1,1-dimethylpropyl)phenoxy]-3-nitro-benzonitrile CAS Name: 4-[4-(2-methylbutan-2-yl)phenoxy]-3-nitrobenzonitrile IUPAC Name: 4-[4-(2-methylbutan-2-yl)phenoxy]-3-nitrobenzonitrile Traditional Name: 4-(4-tert-amylphenoxy)-3-nitro-benzonitrile Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O3/c1-4-18(2,3)14-6-8-15(9-7-14)23-17-10-5-13(12-19)11-16(17)20(21)22/h5-11H,4H2,1-3H3