ditert-butyl 2-[4-(3-cyano-5-isocyano-phenoxy)-3,5-diethyl-pyrazol-1-yl]ethyl phosphate

Systemtic Name: ditert-butyl 2-[4-(3-cyano-5-isocyano-phenoxy)-3,5-diethyl-pyrazol-1-yl]ethyl phosphate Openeye Name: ditert-butyl 2-[4-(3-cyano-5-isocyano-phenoxy)-3,5-diethyl-pyrazol-1-yl]ethyl phosphate CAS Name: phosphoric acid ditert-butyl 2-[4-(3-cyano-5-isocyanophenoxy)-3,5-diethyl-1-pyrazolyl]ethyl ester IUPAC Name: ditert-butyl 2-[4-(3-cyano-5-isocyanophenoxy)-3,5-diethylpyrazol-1-yl]ethyl phosphate Traditional Name: phosphoric acid ditert-butyl 2-[4-(3-cyano-5-isocyano-phenoxy)-3,5-diethyl-pyrazol-1-yl]ethyl ester Formula: C25H35N4O5P MolecularWeight: 502.542961

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CCOP(=O)(OC(C)(C)C)OC(C)(C)C)CC)OC2=CC(=CC(=C2)[N+]#[C-])C#N

Isomeric SMILES

CCC1=C(C(=NN1CCOP(=O)(OC(C)(C)C)OC(C)(C)C)CC)OC2=CC(=CC(=C2)[N+]#[C-])C#N

InChI

InChI=1S/C25H35N4O5P/c1-10-21-23(32-20-15-18(17-26)14-19(16-20)27-9)22(11-2)29(28-21)12-13-31-35(30,33-24(3,4)5)34-25(6,7)8/h14-16H,10-13H2,1-8H3