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

Systemtic Name: N-[2-(2-methylpyrazol-2-ium-1-yl)ethyl]-4-nitro-aniline Openeye Name: N-[2-(2-methylpyrazol-2-ium-1-yl)ethyl]-4-nitro-aniline CAS Name: N-[2-(2-methyl-1-pyrazol-2-iumyl)ethyl]-4-nitroaniline IUPAC Name: N-[2-(2-methylpyrazol-2-ium-1-yl)ethyl]-4-nitroaniline Traditional Name: 2-(2-methylpyrazol-2-ium-1-yl)ethyl-(4-nitrophenyl)amine Formula: C12H15N4O2+ MolecularWeight: 247.2731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N4O2/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/q+1