N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-4-nitro-aniline

Systemtic Name: N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-4-nitro-aniline Openeye Name: N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-4-nitro-aniline CAS Name: N-[2-(3-methyl-1-imidazol-3-iumyl)ethyl]-4-nitroaniline IUPAC Name: N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-4-nitroaniline Traditional Name: 2-(3-methylimidazol-3-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=CN(C=C1)CCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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