5-methyl-4-[(1S)-1-(4-methylphenyl)-2-nitro-ethyl]-2-phenyl-pyrazol-3-olate

Systemtic Name: 5-methyl-4-[(1S)-1-(4-methylphenyl)-2-nitro-ethyl]-2-phenyl-pyrazol-3-olate Openeye Name: 5-methyl-4-[(1S)-2-nitro-1-(p-tolyl)ethyl]-2-phenyl-pyrazol-3-olate CAS Name: 5-methyl-4-[(1S)-1-(4-methylphenyl)-2-nitroethyl]-2-phenyl-3-pyrazololate IUPAC Name: 5-methyl-4-[(1S)-1-(4-methylphenyl)-2-nitroethyl]-2-phenylpyrazol-3-olate Traditional Name: 5-methyl-4-[(1S)-2-nitro-1-(p-tolyl)ethyl]-2-phenyl-pyrazol-3-olate Formula: C19H18N3O3- MolecularWeight: 336.36452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=C(N(N=C2C)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[N+](=O)[O-])C2=C(N(N=C2C)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C19H19N3O3/c1-13-8-10-15(11-9-13)17(12-21(24)25)18-14(2)20-22(19(18)23)16-6-4-3-5-7-16/h3-11,17,23H,12H2,1-2H3/p-1/t17-/m0/s1