tert-butyl 2-[2-(6-cyanonaphthalen-2-yl)oxy-5-nitro-phenyl]benzoate

Systemtic Name: tert-butyl 2-[2-(6-cyanonaphthalen-2-yl)oxy-5-nitro-phenyl]benzoate Openeye Name: tert-butyl 2-[2-[(6-cyano-2-naphthyl)oxy]-5-nitro-phenyl]benzoate CAS Name: 2-[2-[(6-cyano-2-naphthalenyl)oxy]-5-nitrophenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(6-cyanonaphthalen-2-yl)oxy-5-nitrophenyl]benzoate Traditional Name: 2-[2-(6-cyano-2-naphthoxy)-5-nitro-phenyl]benzoic acid tert-butyl ester Formula: C28H22N2O5 MolecularWeight: 466.48468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC4=C(C=C3)C=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC4=C(C=C3)C=C(C=C4)C#N

InChI

InChI=1S/C28H22N2O5/c1-28(2,3)35-27(31)24-7-5-4-6-23(24)25-16-21(30(32)33)11-13-26(25)34-22-12-10-19-14-18(17-29)8-9-20(19)15-22/h4-16H,1-3H3