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

Systemtic Name: 4-[(1S)-1-(4-chlorophenyl)-2,2-dicyano-ethyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(1S)-1-(4-chlorophenyl)-2,2-dicyano-ethyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(1S)-1-(4-chlorophenyl)-2,2-dicyanoethyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(1S)-1-(4-chlorophenyl)-2,2-dicyanoethyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(1S)-1-(4-chlorophenyl)-2,2-dicyano-ethyl]-5-methyl-1H-pyrazol-3-olate Formula: C14H10ClN4O- MolecularWeight: 285.7084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)[O-])C(C2=CC=C(C=C2)Cl)C(C#N)C#N

Isomeric SMILES

CC1=C(C(=NN1)[O-])[C@H](C2=CC=C(C=C2)Cl)C(C#N)C#N

InChI

InChI=1S/C14H11ClN4O/c1-8-12(14(20)19-18-8)13(10(6-16)7-17)9-2-4-11(15)5-3-9/h2-5,10,13H,1H3,(H2,18,19,20)/p-1/t13-/m1/s1