2-[4-nitro-3-(trifluoromethyl)phenyl]-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-[4-nitro-3-(trifluoromethyl)phenyl]-3H-isoindol-2-ium-1-amine Openeye Name: 2-[4-nitro-3-(trifluoromethyl)phenyl]-3H-isoindol-2-ium-1-amine CAS Name: 2-[4-nitro-3-(trifluoromethyl)phenyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-[4-nitro-3-(trifluoromethyl)phenyl]-3H-isoindol-2-ium-1-amine Traditional Name: [2-[4-nitro-3-(trifluoromethyl)phenyl]-3H-isoindol-2-ium-1-yl]amine Formula: C15H11F3N3O2+ MolecularWeight: 322.26195

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1C3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F)N

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1C3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F)N

InChI

InChI=1S/C15H10F3N3O2/c16-15(17,18)12-7-10(5-6-13(12)21(22)23)20-8-9-3-1-2-4-11(9)14(20)19/h1-7,19H,8H2/p+1