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

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

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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)16-7-3-2-4-8-16)19(15(11-21)12-22)14-6-5-9-17(10-14)25(27)28/h2-10,15,19,26H,1H3/p-1/t19-/m1/s1