tert-butyl 2-(3-cyanophenoxy)-5-nitro-benzoate

Systemtic Name: tert-butyl 2-(3-cyanophenoxy)-5-nitro-benzoate Openeye Name: tert-butyl 2-(3-cyanophenoxy)-5-nitro-benzoate CAS Name: 2-(3-cyanophenoxy)-5-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-cyanophenoxy)-5-nitrobenzoate Traditional Name: 2-(3-cyanophenoxy)-5-nitro-benzoic acid tert-butyl ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5/c1-18(2,3)25-17(21)15-10-13(20(22)23)7-8-16(15)24-14-6-4-5-12(9-14)11-19/h4-10H,1-3H3