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

Systemtic Name: 4-[(1S)-2,2-dicyano-1-phenyl-ethyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(1S)-2,2-dicyano-1-phenyl-ethyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(1S)-2,2-dicyano-1-phenylethyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(1S)-2,2-dicyano-1-phenylethyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(1S)-2,2-dicyano-1-phenyl-ethyl]-5-methyl-1H-pyrazol-3-olate Formula: C14H11N4O- MolecularWeight: 251.26334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O/c1-9-12(14(19)18-17-9)13(11(7-15)8-16)10-5-3-2-4-6-10/h2-6,11,13H,1H3,(H2,17,18,19)/p-1/t13-/m1/s1