methyl 1-[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-[(4-bromanyl-2-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(4-bromo-2-fluoroanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C17H17BrFN5O4 MolecularWeight: 454.250383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17BrFN5O4/c1-28-17(25)10-4-6-23(7-5-10)16-14(24(26)27)15(20-9-21-16)22-13-3-2-11(18)8-12(13)19/h2-3,8-10H,4-7H2,1H3,(H,20,21,22)