2-(2-bromanyl-4-nitro-phenyl)-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-(2-bromanyl-4-nitro-phenyl)-3H-isoindol-2-ium-1-amine Openeye Name: 2-(2-bromo-4-nitro-phenyl)-3H-isoindol-2-ium-1-amine CAS Name: 2-(2-bromo-4-nitrophenyl)-3H-isoindol-2-ium-1-amine IUPAC Name: 2-(2-bromo-4-nitrophenyl)-3H-isoindol-2-ium-1-amine Traditional Name: [2-(2-bromo-4-nitro-phenyl)-3H-isoindol-2-ium-1-yl]amine Formula: C14H11BrN3O2+ MolecularWeight: 333.16004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrN3O2/c15-12-7-10(18(19)20)5-6-13(12)17-8-9-3-1-2-4-11(9)14(17)16/h1-7,16H,8H2/p+1