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

Systemtic Name: ethyl 4-[4-fluoranyl-5-(4-methylpiperidin-1-yl)-2-nitro-phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-fluoro-5-(4-methyl-1-piperidyl)-2-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-fluoro-5-(4-methyl-1-piperidinyl)-2-nitrophenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-fluoro-5-(4-methylpiperidin-1-yl)-2-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-fluoro-5-(4-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)N3CCC(CC3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCC(CC3)C

InChI

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