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

Systemtic Name: 4-[(1S)-1-(2,4-dichlorophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-[(1S)-1-(2,4-dichlorophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[(1S)-1-(2,4-dichlorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-[(1S)-1-(2,4-dichlorophenyl)-2-nitroethyl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-[(1S)-1-(2,4-dichlorophenyl)-2-nitro-ethyl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C18H14Cl2N3O3- MolecularWeight: 391.22806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15Cl2N3O3/c1-11-17(18(24)23(21-11)13-5-3-2-4-6-13)15(10-22(25)26)14-8-7-12(19)9-16(14)20/h2-9,15,24H,10H2,1H3/p-1/t15-/m1/s1