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

Systemtic Name: 2-chloranyl-N1-(1-methyl-3-propyl-2H-imidazol-1-ium-1-yl)-5-nitro-benzene-1,4-diamine Openeye Name: 2-chloro-N1-(1-methyl-3-propyl-2H-imidazol-1-ium-1-yl)-5-nitro-benzene-1,4-diamine CAS Name: 2-chloro-N1-(1-methyl-3-propyl-2H-imidazol-1-ium-1-yl)-5-nitrobenzene-1,4-diamine IUPAC Name: 2-chloro-1-N-(1-methyl-3-propyl-2H-imidazol-1-ium-1-yl)-5-nitrobenzene-1,4-diamine Traditional Name: (4-amino-2-chloro-5-nitro-phenyl)-(1-methyl-3-propyl-4-imidazolin-1-ium-1-yl)amine Formula: C13H19ClN5O2+ MolecularWeight: 312.77526

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C[N+](C=C1)(C)NC2=CC(=C(C=C2Cl)N)[N+](=O)[O-]

Isomeric SMILES

CCCN1C[N+](C=C1)(C)NC2=CC(=C(C=C2Cl)N)[N+](=O)[O-]

InChI

InChI=1S/C13H19ClN5O2/c1-3-4-17-5-6-19(2,9-17)16-12-8-13(18(20)21)11(15)7-10(12)14/h5-8,16H,3-4,9,15H2,1-2H3/q+1