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

Systemtic Name: 4-[(1S)-2,2-dicyano-1-(2-nitrophenyl)ethyl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-[(1S)-2,2-dicyano-1-(2-nitrophenyl)ethyl]-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[(1S)-2,2-dicyano-1-(2-nitrophenyl)ethyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-[(1S)-2,2-dicyano-1-(2-nitrophenyl)ethyl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-[(1S)-2,2-dicyano-1-(2-nitrophenyl)ethyl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C20H14N5O3- MolecularWeight: 372.35686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O3/c1-13-18(20(26)24(23-13)15-7-3-2-4-8-15)19(14(11-21)12-22)16-9-5-6-10-17(16)25(27)28/h2-10,14,19,26H,1H3/p-1/t19-/m0/s1