1,2-dimethyl-7-[(2-methyl-4-nitro-phenyl)diazenyl]indazol-2-ium-6-amine ethanoate

Systemtic Name: 1,2-dimethyl-7-[(2-methyl-4-nitro-phenyl)diazenyl]indazol-2-ium-6-amine ethanoate Openeye Name: 1,2-dimethyl-7-(2-methyl-4-nitro-phenyl)azo-indazol-2-ium-6-amine acetate CAS Name: 1,2-dimethyl-7-(2-methyl-4-nitrophenyl)azo-6-indazol-2-iumamine acetate IUPAC Name: 1,2-dimethyl-7-[(2-methyl-4-nitrophenyl)diazenyl]indazol-2-ium-6-amine acetate Traditional Name: [1,2-dimethyl-7-(2-methyl-4-nitro-phenyl)azo-indazol-2-ium-6-yl]amine acetate Formula: C18H20N6O4 MolecularWeight: 384.3892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N=NC2=C(C=CC3=C2N([N+](=C3)C)C)N.CC(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N=NC2=C(C=CC3=C2N([N+](=C3)C)C)N.CC(=O)[O-]

InChI

InChI=1S/C16H16N6O2.C2H4O2/c1-10-8-12(22(23)24)5-7-14(10)18-19-15-13(17)6-4-11-9-20(2)21(3)16(11)15;1-2(3)4/h4-9,17H,1-3H3;1H3,(H,3,4)