ethyl 1-[6-[(2-chloranyl-4-fluoranyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[(2-chloranyl-4-fluoranyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[(2-chloro-4-fluoro-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(2-chloro-4-fluorophenyl)methylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(2-chloro-4-fluorophenyl)methylamino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(2-chloro-4-fluoro-benzyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H21ClFN5O4 MolecularWeight: 437.852543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=C(C=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=C(C=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClFN5O4/c1-2-30-19(27)12-5-7-25(8-6-12)18-16(26(28)29)17(23-11-24-18)22-10-13-3-4-14(21)9-15(13)20/h3-4,9,11-12H,2,5-8,10H2,1H3,(H,22,23,24)