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

Systemtic Name: 4-[(1S)-1-(4-ethoxyphenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-[(1S)-1-(4-ethoxyphenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[(1S)-1-(4-ethoxyphenyl)-2-nitroethyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-[(1S)-1-(4-ethoxyphenyl)-2-nitroethyl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 5-methyl-4-[(1S)-2-nitro-1-p-phenetyl-ethyl]-2-phenyl-pyrazol-3-olate Formula: C20H20N3O4- MolecularWeight: 366.3905

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=C(N(N=C2C)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](C[N+](=O)[O-])C2=C(N(N=C2C)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H21N3O4/c1-3-27-17-11-9-15(10-12-17)18(13-22(25)26)19-14(2)21-23(20(19)24)16-7-5-4-6-8-16/h4-12,18,24H,3,13H2,1-2H3/p-1/t18-/m0/s1