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

Systemtic Name: 2-[3-(2-methylpyrazol-2-ium-1-yl)propoxy]-4-nitro-aniline Openeye Name: 2-[3-(2-methylpyrazol-2-ium-1-yl)propoxy]-4-nitro-aniline CAS Name: 2-[3-(2-methyl-1-pyrazol-2-iumyl)propoxy]-4-nitroaniline IUPAC Name: 2-[3-(2-methylpyrazol-2-ium-1-yl)propoxy]-4-nitroaniline Traditional Name: [2-[3-(2-methylpyrazol-2-ium-1-yl)propoxy]-4-nitro-phenyl]amine Formula: C13H17N4O3+ MolecularWeight: 277.29908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N4O3/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/q+1