5-chloranyl-2-nitro-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]-4-(trifluoromethyl)aniline

Systemtic Name: 5-chloranyl-2-nitro-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]-4-(trifluoromethyl)aniline Openeye Name: 5-chloro-2-nitro-N-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]-4-(trifluoromethyl)aniline CAS Name: 5-chloro-2-nitro-N-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]-4-(trifluoromethyl)aniline IUPAC Name: 5-chloro-2-nitro-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]-4-(trifluoromethyl)aniline Traditional Name: [5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-[(2-pyrrolidino-4-pyridyl)methyl]amine Formula: C17H16ClF3N4O2 MolecularWeight: 400.78275

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=CC(=C2)CNC3=C(C=C(C(=C3)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC=CC(=C2)CNC3=C(C=C(C(=C3)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClF3N4O2/c18-13-9-14(15(25(26)27)8-12(13)17(19,20)21)23-10-11-3-4-22-16(7-11)24-5-1-2-6-24/h3-4,7-9,23H,1-2,5-6,10H2