2-(1-methyl-3-propyl-imidazole-1,3-diium-1-yl)oxy-4-nitro-aniline

Systemtic Name: 2-(1-methyl-3-propyl-imidazole-1,3-diium-1-yl)oxy-4-nitro-aniline Openeye Name: 2-(1-methyl-3-propyl-imidazole-1,3-diium-1-yl)oxy-4-nitro-aniline CAS Name: 2-[(1-methyl-3-propyl-1-imidazole-1,3-diiumyl)oxy]-4-nitroaniline IUPAC Name: 2-(1-methyl-3-propylimidazole-1,3-diium-1-yl)oxy-4-nitroaniline Traditional Name: [2-(1-methyl-3-propyl-imidazole-1,3-diium-1-yl)oxy-4-nitro-phenyl]amine Formula: C13H18N4O3+2 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C[N+](C=C1)(C)OC2=C(C=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

CCC[N+]1=C[N+](C=C1)(C)OC2=C(C=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C13H18N4O3/c1-3-6-15-7-8-17(2,10-15)20-13-9-11(16(18)19)4-5-12(13)14/h4-5,7-10H,3,6,14H2,1-2H3/q+2