2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl-cyclopropyl-amino]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)-cyclopropyl-amino]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C21H21ClFN3O3 MolecularWeight: 417.861143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C1)C(=O)CN(CC3=C(C=CC=C3Cl)F)C4CC4

Isomeric SMILES

C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C1)C(=O)CN(CC3=C(C=CC=C3Cl)F)C4CC4

InChI

InChI=1S/C21H21ClFN3O3/c22-18-4-1-5-19(23)17(18)12-24(15-6-7-15)13-21(27)25-10-2-3-14-11-16(26(28)29)8-9-20(14)25/h1,4-5,8-9,11,15H,2-3,6-7,10,12-13H2