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

Systemtic Name: N-[1-(3-methylimidazol-3-ium-1-yl)propan-2-yl]-4-nitro-aniline Openeye Name: N-[1-methyl-2-(3-methylimidazol-3-ium-1-yl)ethyl]-4-nitro-aniline CAS Name: N-[1-(3-methyl-1-imidazol-3-iumyl)propan-2-yl]-4-nitroaniline IUPAC Name: N-[1-(3-methylimidazol-3-ium-1-yl)propan-2-yl]-4-nitroaniline Traditional Name: [1-methyl-2-(3-methylimidazol-3-ium-1-yl)ethyl]-(4-nitrophenyl)amine Formula: C13H17N4O2+ MolecularWeight: 261.29968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N4O2/c1-11(9-16-8-7-15(2)10-16)14-12-3-5-13(6-4-12)17(18)19/h3-8,10-11,14H,9H2,1-2H3/q+1