[azanyl-[(4-nitrophenyl)amino]methylidene]-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]azanium

Systemtic Name: [azanyl-[(4-nitrophenyl)amino]methylidene]-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]azanium Openeye Name: [amino-(4-nitroanilino)methylene]-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]ammonium CAS Name: [amino-(4-nitroanilino)methylidene]-[4,6-bis(trifluoromethyl)-2-pyrimidinyl]ammonium IUPAC Name: [amino-(4-nitroanilino)methylidene]-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]azanium Traditional Name: [amino-(4-nitroanilino)methylene]-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]ammonium Formula: C13H9F6N6O2+ MolecularWeight: 395.239979

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=[NH+]C2=NC(=CC(=N2)C(F)(F)F)C(F)(F)F)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=[NH+]C2=NC(=CC(=N2)C(F)(F)F)C(F)(F)F)N)[N+](=O)[O-]

InChI

InChI=1S/C13H8F6N6O2/c14-12(15,16)8-5-9(13(17,18)19)23-11(22-8)24-10(20)21-6-1-3-7(4-2-6)25(26)27/h1-5H,(H3,20,21,22,23,24)/p+1