2-[3-(2-methylpyrazol-2-ium-1-yl)propoxy]-4-nitro-aniline bromide

Systemtic Name: 2-[3-(2-methylpyrazol-2-ium-1-yl)propoxy]-4-nitro-aniline bromide Openeye Name: 2-[3-(2-methylpyrazol-2-ium-1-yl)propoxy]-4-nitro-aniline bromide CAS Name: 2-[3-(2-methyl-1-pyrazol-2-iumyl)propoxy]-4-nitroaniline bromide IUPAC Name: 2-[3-(2-methylpyrazol-2-ium-1-yl)propoxy]-4-nitroaniline bromide Traditional Name: [2-[3-(2-methylpyrazol-2-ium-1-yl)propoxy]-4-nitro-phenyl]amine bromide Formula: C13H17BrN4O3 MolecularWeight: 357.20308

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CN1CCCOC2=C(C=CC(=C2)[N+](=O)[O-])N.[Br-]

Isomeric SMILES

C[N+]1=CC=CN1CCCOC2=C(C=CC(=C2)[N+](=O)[O-])N.[Br-]

InChI

InChI=1S/C13H17N4O3.BrH/c1-15-6-2-7-16(15)8-3-9-20-13-10-11(17(18)19)4-5-12(13)14;/h2,4-7,10H,3,8-9,14H2,1H3;1H/q+1;/p-1