ethyl 4-[4-fluoranyl-5-[(2S)-2-methylpiperidin-1-yl]-2-nitro-phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-fluoranyl-5-[(2S)-2-methylpiperidin-1-yl]-2-nitro-phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-fluoro-5-[(2S)-2-methyl-1-piperidyl]-2-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-fluoro-5-[(2S)-2-methyl-1-piperidinyl]-2-nitrophenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-fluoro-5-[(2S)-2-methylpiperidin-1-yl]-2-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-fluoro-5-[(2S)-2-methylpiperidino]-2-nitro-phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H27FN4O4 MolecularWeight: 394.440483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCCCC3C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCCC[C@@H]3C

InChI

InChI=1S/C19H27FN4O4/c1-3-28-19(25)22-10-8-21(9-11-22)17-13-16(15(20)12-18(17)24(26)27)23-7-5-4-6-14(23)2/h12-14H,3-11H2,1-2H3/t14-/m0/s1