4-[(1S)-2,2-dicyano-1-(2-methoxyphenyl)ethyl]-5-methyl-2-phenyl-pyrazol-3-olate

Systemtic Name: 4-[(1S)-2,2-dicyano-1-(2-methoxyphenyl)ethyl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-[(1S)-2,2-dicyano-1-(2-methoxyphenyl)ethyl]-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[(1S)-2,2-dicyano-1-(2-methoxyphenyl)ethyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-[(1S)-2,2-dicyano-1-(2-methoxyphenyl)ethyl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-[(1S)-2,2-dicyano-1-(2-methoxyphenyl)ethyl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C21H17N4O2- MolecularWeight: 357.38528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(C2=CC=CC=C2OC)C(C#N)C#N)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1[C@H](C2=CC=CC=C2OC)C(C#N)C#N)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H18N4O2/c1-14-19(21(26)25(24-14)16-8-4-3-5-9-16)20(15(12-22)13-23)17-10-6-7-11-18(17)27-2/h3-11,15,20,26H,1-2H3/p-1/t20-/m0/s1