4-[(1,2-dimethyl-5-nitro-1,3-dihydroindazol-1-ium-3-yl)diazenyl]-N,N-diethyl-3-methyl-aniline chloride

Systemtic Name: 4-[(1,2-dimethyl-5-nitro-1,3-dihydroindazol-1-ium-3-yl)diazenyl]-N,N-diethyl-3-methyl-aniline chloride Openeye Name: 4-[(1,2-dimethyl-5-nitro-1,3-dihydroindazol-1-ium-3-yl)azo]-N,N-diethyl-3-methyl-aniline chloride CAS Name: 4-[(1,2-dimethyl-5-nitro-1,3-dihydroindazol-1-ium-3-yl)azo]-N,N-diethyl-3-methylaniline chloride IUPAC Name: 4-[(1,2-dimethyl-5-nitro-1,3-dihydroindazol-1-ium-3-yl)diazenyl]-N,N-diethyl-3-methylaniline chloride Traditional Name: [4-(1,2-dimethyl-5-nitro-indazolin-1-ium-3-yl)azo-3-methyl-phenyl]-diethyl-amine chloride Formula: C20H27ClN6O2 MolecularWeight: 418.92038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)N=NC2C3=C(C=CC(=C3)[N+](=O)[O-])[NH+](N2C)C)C.[Cl-]

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)N=NC2C3=C(C=CC(=C3)[N+](=O)[O-])[NH+](N2C)C)C.[Cl-]

InChI

InChI=1S/C20H26N6O2.ClH/c1-6-25(7-2)15-8-10-18(14(3)12-15)21-22-20-17-13-16(26(27)28)9-11-19(17)23(4)24(20)5;/h8-13,20H,6-7H2,1-5H3;1H