methyl 2-[5-acetamido-2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-nitro-pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5-acetamido-2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-nitro-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[5-acetamido-2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-nitro-pyrazol-3-yl]acetate CAS Name: 2-[5-acetamido-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitro-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-acetamido-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-nitropyrazol-3-yl]acetate Traditional Name: 2-[5-acetamido-2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-nitro-pyrazol-3-yl]acetic acid methyl ester Formula: C14H11ClF3N5O5 MolecularWeight: 421.71585

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(=C1[N+](=O)[O-])CC(=O)OC)C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CC(=O)NC1=NN(C(=C1[N+](=O)[O-])CC(=O)OC)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C14H11ClF3N5O5/c1-6(24)20-12-11(23(26)27)9(4-10(25)28-2)22(21-12)13-8(15)3-7(5-19-13)14(16,17)18/h3,5H,4H2,1-2H3,(H,20,21,24)