[(2R)-1-[(4-chloranyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [(2R)-1-[(4-chloranyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [(1R)-2-(4-chloro-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [(1R)-2-(4-chloro-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C16H16ClFN4O5 MolecularWeight: 398.773443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OC(C)C(=O)NC2=C(C=C(C=C2)Cl)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O[C@H](C)C(=O)NC2=C(C=C(C=C2)Cl)F)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClFN4O5/c1-8-15(22(25)26)9(2)21(20-8)7-14(23)27-10(3)16(24)19-13-5-4-11(17)6-12(13)18/h4-6,10H,7H2,1-3H3,(H,19,24)/t10-/m1/s1