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

Systemtic Name: 4-[(1S)-1-(2-chlorophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-[(1S)-1-(2-chlorophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[(1S)-1-(2-chlorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-[(1S)-1-(2-chlorophenyl)-2-nitroethyl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-[(1S)-1-(2-chlorophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C18H15ClN3O3- MolecularWeight: 356.783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(C[N+](=O)[O-])C2=CC=CC=C2Cl)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1[C@H](C[N+](=O)[O-])C2=CC=CC=C2Cl)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H16ClN3O3/c1-12-17(18(23)22(20-12)13-7-3-2-4-8-13)15(11-21(24)25)14-9-5-6-10-16(14)19/h2-10,15,23H,11H2,1H3/p-1/t15-/m1/s1