N-[2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]ethyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]ethyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-[2,6-dinitro-4-(trifluoromethyl)anilino]ethyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[2,6-dinitro-4-(trifluoromethyl)anilino]ethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-[2,6-dinitro-4-(trifluoromethyl)anilino]ethyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[2,6-dinitro-4-(trifluoromethyl)anilino]ethyl]-1-methyl-pyrrole-2-carboxamide Formula: C15H14F3N5O5 MolecularWeight: 401.29737

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NCCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1C(=O)NCCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H14F3N5O5/c1-21-6-2-3-10(21)14(24)20-5-4-19-13-11(22(25)26)7-9(15(16,17)18)8-12(13)23(27)28/h2-3,6-8,19H,4-5H2,1H3,(H,20,24)