N-[2-(2-methylpyrazol-2-ium-1-yl)ethyl]-4-nitro-aniline bromide

Systemtic Name: N-[2-(2-methylpyrazol-2-ium-1-yl)ethyl]-4-nitro-aniline bromide Openeye Name: N-[2-(2-methylpyrazol-2-ium-1-yl)ethyl]-4-nitro-aniline bromide CAS Name: N-[2-(2-methyl-1-pyrazol-2-iumyl)ethyl]-4-nitroaniline bromide IUPAC Name: N-[2-(2-methylpyrazol-2-ium-1-yl)ethyl]-4-nitroaniline bromide Traditional Name: 2-(2-methylpyrazol-2-ium-1-yl)ethyl-(4-nitrophenyl)amine bromide Formula: C12H15BrN4O2 MolecularWeight: 327.1771

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CN1CCNC2=CC=C(C=C2)[N+](=O)[O-].[Br-]

Isomeric SMILES

C[N+]1=CC=CN1CCNC2=CC=C(C=C2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C12H15N4O2.BrH/c1-14-8-2-9-15(14)10-7-13-11-3-5-12(6-4-11)16(17)18;/h2-6,8-9,13H,7,10H2,1H3;1H/q+1;/p-1