ethyl 4-[6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]oxy]-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C16H18F3N7O5 MolecularWeight: 445.35323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=NN3C)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=NN3C)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H18F3N7O5/c1-3-30-15(27)25-6-4-24(5-7-25)13-12(26(28)29)14(21-9-20-13)31-11-8-10(16(17,18)19)22-23(11)2/h8-9H,3-7H2,1-2H3