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

Systemtic Name: 5-methyl-4-[1-(4-methylphenyl)-2-nitro-ethyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-methyl-4-[2-nitro-1-(p-tolyl)ethyl]-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-[1-(4-methylphenyl)-2-nitroethyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-[1-(4-methylphenyl)-2-nitroethyl]-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-methyl-4-[2-nitro-1-(p-tolyl)ethyl]-2-phenyl-3-pyrazolin-3-one Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h3-11,17,20H,12H2,1-2H3