methyl 1-[6-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(3-chloro-4-fluoroanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(3-chloro-4-fluoroanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C17H17ClFN5O4 MolecularWeight: 409.799383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClFN5O4/c1-28-17(25)10-4-6-23(7-5-10)16-14(24(26)27)15(20-9-21-16)22-11-2-3-13(19)12(18)8-11/h2-3,8-10H,4-7H2,1H3,(H,20,21,22)