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

Systemtic Name: ethyl (2S)-4-(2-fluoranyl-4-nitro-phenyl)-2-methyl-piperazine-1-carboxylate Openeye Name: ethyl (2S)-4-(2-fluoro-4-nitro-phenyl)-2-methyl-piperazine-1-carboxylate CAS Name: (2S)-4-(2-fluoro-4-nitrophenyl)-2-methyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-4-(2-fluoro-4-nitrophenyl)-2-methylpiperazine-1-carboxylate Traditional Name: (2S)-4-(2-fluoro-4-nitro-phenyl)-2-methyl-piperazine-1-carboxylic acid ethyl ester Formula: C14H18FN3O4 MolecularWeight: 311.308823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18FN3O4/c1-3-22-14(19)17-7-6-16(9-10(17)2)13-5-4-11(18(20)21)8-12(13)15/h4-5,8,10H,3,6-7,9H2,1-2H3/t10-/m0/s1