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

Systemtic Name: 4-[(1R)-1-(3-methoxyphenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-[(1R)-1-(3-methoxyphenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[(1R)-1-(3-methoxyphenyl)-2-nitroethyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-[(1R)-1-(3-methoxyphenyl)-2-nitroethyl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-[(1R)-1-(3-methoxyphenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C19H18N3O4- MolecularWeight: 352.36392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4/c1-13-18(19(23)22(20-13)15-8-4-3-5-9-15)17(12-21(24)25)14-7-6-10-16(11-14)26-2/h3-11,17,23H,12H2,1-2H3/p-1/t17-/m1/s1