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

Systemtic Name: 4-chloranyl-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-2-nitro-aniline Openeye Name: 4-chloro-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-2-nitro-aniline CAS Name: 4-chloro-N-[3-(3-methyl-1-imidazol-3-iumyl)propyl]-2-nitroaniline IUPAC Name: 4-chloro-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-2-nitroaniline Traditional Name: (4-chloro-2-nitro-phenyl)-[3-(3-methylimidazol-3-ium-1-yl)propyl]amine Formula: C13H16ClN4O2+ MolecularWeight: 295.74474

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCNC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCCNC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H16ClN4O2/c1-16-7-8-17(10-16)6-2-5-15-12-4-3-11(14)9-13(12)18(19)20/h3-4,7-10,15H,2,5-6H2,1H3/q+1