4,5-bis(chloranyl)-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-2-nitro-aniline

Systemtic Name: 4,5-bis(chloranyl)-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-2-nitro-aniline Openeye Name: 4,5-dichloro-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-2-nitro-aniline CAS Name: 4,5-dichloro-N-[3-(3-methyl-1-imidazol-3-iumyl)propyl]-2-nitroaniline IUPAC Name: 4,5-dichloro-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-2-nitroaniline Traditional Name: (4,5-dichloro-2-nitro-phenyl)-[3-(3-methylimidazol-3-ium-1-yl)propyl]amine Formula: C13H15Cl2N4O2+ MolecularWeight: 330.1898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15Cl2N4O2/c1-17-5-6-18(9-17)4-2-3-16-12-7-10(14)11(15)8-13(12)19(20)21/h5-9,16H,2-4H2,1H3/q+1