2,6-dinitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)aniline

Systemtic Name: 2,6-dinitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)aniline Openeye Name: 2,6-dinitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)aniline CAS Name: 2,6-dinitro-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-4-(trifluoromethyl)aniline IUPAC Name: 2,6-dinitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-[2-(pyrrolidinomethyl)benzyl]amine Formula: C19H19F3N4O4 MolecularWeight: 424.37377

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H19F3N4O4/c20-19(21,22)15-9-16(25(27)28)18(17(10-15)26(29)30)23-11-13-5-1-2-6-14(13)12-24-7-3-4-8-24/h1-2,5-6,9-10,23H,3-4,7-8,11-12H2