2-[4-(3,5-dicyanophenoxy)-3,5-diethyl-pyrazol-1-yl]ethyl dihydrogen phosphate

Systemtic Name: 2-[4-(3,5-dicyanophenoxy)-3,5-diethyl-pyrazol-1-yl]ethyl dihydrogen phosphate Openeye Name: 2-[4-(3,5-dicyanophenoxy)-3,5-diethyl-pyrazol-1-yl]ethyl dihydrogen phosphate CAS Name: 2-[4-(3,5-dicyanophenoxy)-3,5-diethyl-1-pyrazolyl]ethyl dihydrogen phosphate IUPAC Name: 2-[4-(3,5-dicyanophenoxy)-3,5-diethylpyrazol-1-yl]ethyl dihydrogen phosphate Traditional Name: 2-[4-(3,5-dicyanophenoxy)-3,5-diethyl-pyrazol-1-yl]ethyl dihydrogen phosphate Formula: C17H19N4O5P MolecularWeight: 390.330321

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CCOP(=O)(O)O)CC)OC2=CC(=CC(=C2)C#N)C#N

Isomeric SMILES

CCC1=C(C(=NN1CCOP(=O)(O)O)CC)OC2=CC(=CC(=C2)C#N)C#N

InChI

InChI=1S/C17H19N4O5P/c1-3-15-17(26-14-8-12(10-18)7-13(9-14)11-19)16(4-2)21(20-15)5-6-25-27(22,23)24/h7-9H,3-6H2,1-2H3,(H2,22,23,24)