4-[(1,2-dimethyl-5-nitro-indazol-2-ium-3-yl)diazenyl]-N,N-diethyl-aniline ethanoate

Systemtic Name: 4-[(1,2-dimethyl-5-nitro-indazol-2-ium-3-yl)diazenyl]-N,N-diethyl-aniline ethanoate Openeye Name: 4-(1,2-dimethyl-5-nitro-indazol-2-ium-3-yl)azo-N,N-diethyl-aniline acetate CAS Name: 4-[(1,2-dimethyl-5-nitro-3-indazol-2-iumyl)azo]-N,N-diethylaniline acetate IUPAC Name: 4-[(1,2-dimethyl-5-nitroindazol-2-ium-3-yl)diazenyl]-N,N-diethylaniline acetate Traditional Name: [4-(1,2-dimethyl-5-nitro-indazol-2-ium-3-yl)azophenyl]-diethyl-amine acetate Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](N(C3=C2C=C(C=C3)[N+](=O)[O-])C)C.CC(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](N(C3=C2C=C(C=C3)[N+](=O)[O-])C)C.CC(=O)[O-]

InChI

InChI=1S/C19H23N6O2.C2H4O2/c1-5-24(6-2)15-9-7-14(8-10-15)20-21-19-17-13-16(25(26)27)11-12-18(17)22(3)23(19)4;1-2(3)4/h7-13H,5-6H2,1-4H3;1H3,(H,3,4)/q+1;/p-1