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

Systemtic Name: N-[2-methyl-1-(3-methylimidazol-3-ium-1-yl)butan-2-yl]-4-nitro-aniline Openeye Name: N-[1-methyl-1-[(3-methylimidazol-3-ium-1-yl)methyl]propyl]-4-nitro-aniline CAS Name: N-[2-methyl-1-(3-methyl-1-imidazol-3-iumyl)butan-2-yl]-4-nitroaniline IUPAC Name: N-[2-methyl-1-(3-methylimidazol-3-ium-1-yl)butan-2-yl]-4-nitroaniline Traditional Name: [1-methyl-1-[(3-methylimidazol-3-ium-1-yl)methyl]propyl]-(4-nitrophenyl)amine Formula: C15H21N4O2+ MolecularWeight: 289.35284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CN1C=C[N+](=C1)C)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(CN1C=C[N+](=C1)C)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N4O2/c1-4-15(2,11-18-10-9-17(3)12-18)16-13-5-7-14(8-6-13)19(20)21/h5-10,12,16H,4,11H2,1-3H3/q+1