2-chloranyl-N1-[3-(3-methyl-2H-imidazol-1-yl)propyl]-5-nitro-benzene-1,4-diamine bromide

Systemtic Name: 2-chloranyl-N1-[3-(3-methyl-2H-imidazol-1-yl)propyl]-5-nitro-benzene-1,4-diamine bromide Openeye Name: 2-chloro-N1-[3-(3-methyl-2H-imidazol-1-yl)propyl]-5-nitro-benzene-1,4-diamine bromide CAS Name: 2-chloro-N1-[3-(3-methyl-2H-imidazol-1-yl)propyl]-5-nitrobenzene-1,4-diamine bromide IUPAC Name: 2-chloro-1-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]-5-nitrobenzene-1,4-diamine bromide Traditional Name: (4-amino-2-chloro-5-nitro-phenyl)-[3-(3-methyl-4-imidazolin-1-yl)propyl]amine bromide Formula: C13H18BrClN5O2- MolecularWeight: 391.67132

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C=C1)CCCNC2=CC(=C(C=C2Cl)N)[N+](=O)[O-].[Br-]

Isomeric SMILES

CN1CN(C=C1)CCCNC2=CC(=C(C=C2Cl)N)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C13H18ClN5O2.BrH/c1-17-5-6-18(9-17)4-2-3-16-12-8-13(19(20)21)11(15)7-10(12)14;/h5-8,16H,2-4,9,15H2,1H3;1H/p-1