[azanyl-[(4-fluoranyl-3-nitro-phenyl)amino]methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium

Systemtic Name: [azanyl-[(4-fluoranyl-3-nitro-phenyl)amino]methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium Openeye Name: [amino-(4-fluoro-3-nitro-anilino)methylene]-(4,6-dimethylpyrimidin-2-yl)ammonium CAS Name: [amino-(4-fluoro-3-nitroanilino)methylidene]-(4,6-dimethyl-2-pyrimidinyl)ammonium IUPAC Name: [amino-(4-fluoro-3-nitroanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium Traditional Name: [amino-(4-fluoro-3-nitro-anilino)methylene]-(4,6-dimethylpyrimidin-2-yl)ammonium Formula: C13H14FN6O2+ MolecularWeight: 305.287663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[NH+]=C(N)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)[NH+]=C(N)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C

InChI

InChI=1S/C13H13FN6O2/c1-7-5-8(2)17-13(16-7)19-12(15)18-9-3-4-10(14)11(6-9)20(21)22/h3-6H,1-2H3,(H3,15,16,17,18,19)/p+1