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

Systemtic Name: tert-butyl 2-[2-(6-cyanonaphthalen-2-yl)oxy-5-nitro-phenyl]-5-(2-methylpropoxy)benzoate Openeye Name: tert-butyl 2-[2-[(6-cyano-2-naphthyl)oxy]-5-nitro-phenyl]-5-isobutoxy-benzoate CAS Name: 2-[2-[(6-cyano-2-naphthalenyl)oxy]-5-nitrophenyl]-5-(2-methylpropoxy)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(6-cyanonaphthalen-2-yl)oxy-5-nitrophenyl]-5-(2-methylpropoxy)benzoate Traditional Name: 2-[2-(6-cyano-2-naphthoxy)-5-nitro-phenyl]-5-isobutoxy-benzoic acid tert-butyl ester Formula: C32H30N2O6 MolecularWeight: 538.5904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC(=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC4=C(C=C3)C=C(C=C4)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)COC1=CC(=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC4=C(C=C3)C=C(C=C4)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H30N2O6/c1-20(2)19-38-25-11-12-27(29(17-25)31(35)40-32(3,4)5)28-16-24(34(36)37)9-13-30(28)39-26-10-8-22-14-21(18-33)6-7-23(22)15-26/h6-17,20H,19H2,1-5H3