ethyl 2-[[3-nitro-2-(trifluoromethyl)quinolin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 2-[[3-nitro-2-(trifluoromethyl)quinolin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 2-[[3-nitro-2-(trifluoromethyl)-4-quinolyl]amino]piperidine-1-carboxylate CAS Name: 2-[[3-nitro-2-(trifluoromethyl)-4-quinolinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-nitro-2-(trifluoromethyl)quinolin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 2-[[3-nitro-2-(trifluoromethyl)-4-quinolyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C18H19F3N4O4 MolecularWeight: 412.36307

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCCC1NC2=C(C(=NC3=CC=CC=C32)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCCCC1NC2=C(C(=NC3=CC=CC=C32)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H19F3N4O4/c1-2-29-17(26)24-10-6-5-9-13(24)23-14-11-7-3-4-8-12(11)22-16(18(19,20)21)15(14)25(27)28/h3-4,7-8,13H,2,5-6,9-10H2,1H3,(H,22,23)