ethyl (2S)-4-(4-fluoranyl-5-morpholin-4-yl-2-nitro-phenyl)-2-methyl-piperazine-1-carboxylate

Systemtic Name: ethyl (2S)-4-(4-fluoranyl-5-morpholin-4-yl-2-nitro-phenyl)-2-methyl-piperazine-1-carboxylate Openeye Name: ethyl (2S)-4-(4-fluoro-5-morpholino-2-nitro-phenyl)-2-methyl-piperazine-1-carboxylate CAS Name: (2S)-4-[4-fluoro-5-(4-morpholinyl)-2-nitrophenyl]-2-methyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-4-(4-fluoro-5-morpholin-4-yl-2-nitrophenyl)-2-methylpiperazine-1-carboxylate Traditional Name: (2S)-4-(4-fluoro-5-morpholino-2-nitro-phenyl)-2-methyl-piperazine-1-carboxylic acid ethyl ester Formula: C18H25FN4O5 MolecularWeight: 396.413303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1C)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCOCC3

Isomeric SMILES

CCOC(=O)N1CCN(C[C@@H]1C)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCOCC3

InChI

InChI=1S/C18H25FN4O5/c1-3-28-18(24)22-5-4-21(12-13(22)2)16-11-15(20-6-8-27-9-7-20)14(19)10-17(16)23(25)26/h10-11,13H,3-9,12H2,1-2H3/t13-/m0/s1