3-[1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C19H16F3N5O5 MolecularWeight: 451.35605

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H16F3N5O5/c20-19(21,22)11-9-15(26(29)30)17(16(10-11)27(31)32)24-7-5-12(6-8-24)25-14-4-2-1-3-13(14)23-18(25)28/h1-4,9-10,12H,5-8H2,(H,23,28)