dimethyl 5-[[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-(4-bromo-2-fluoroanilino)-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H15BrFN5O6 MolecularWeight: 520.265403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F)C(=O)OC

InChI

InChI=1S/C20H15BrFN5O6/c1-32-19(28)10-5-11(20(29)33-2)7-13(6-10)25-17-16(27(30)31)18(24-9-23-17)26-15-4-3-12(21)8-14(15)22/h3-9H,1-2H3,(H2,23,24,25,26)