dimethyl 5-[[1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazol-3-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazol-3-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-[(5-fluoro-2-nitrophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H17FN4O8 MolecularWeight: 472.380083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H17FN4O8/c1-32-20(28)12-7-13(21(29)33-2)9-15(8-12)23-19(27)16-5-6-25(24-16)11-34-18-10-14(22)3-4-17(18)26(30)31/h3-10H,11H2,1-2H3,(H,23,27)