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

Systemtic Name: 4-[(1S)-1-(4-chlorophenyl)-2,2-dicyano-ethyl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-[(1S)-1-(4-chlorophenyl)-2,2-dicyano-ethyl]-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[(1S)-1-(4-chlorophenyl)-2,2-dicyanoethyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-[(1S)-1-(4-chlorophenyl)-2,2-dicyanoethyl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-[(1S)-1-(4-chlorophenyl)-2,2-dicyano-ethyl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C20H14ClN4O- MolecularWeight: 361.80436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN4O/c1-13-18(20(26)25(24-13)17-5-3-2-4-6-17)19(15(11-22)12-23)14-7-9-16(21)10-8-14/h2-10,15,19,26H,1H3/p-1/t19-/m1/s1