4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N,N-diethyl-aniline; 4-nitrobenzoate

Systemtic Name: 4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N,N-diethyl-aniline; 4-nitrobenzoate Openeye Name: 4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]-N,N-diethyl-aniline; 4-nitrobenzoate CAS Name: 4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]-N,N-diethylaniline; 4-nitrobenzoate IUPAC Name: 4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N,N-diethylaniline; 4-nitrobenzoate Traditional Name: [4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]phenyl]-diethyl-amine; 4-nitrobenzoate Formula: C21H25N7O4 MolecularWeight: 439.4677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N=NC2=NN(C=[N+]2C)C.C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N=NC2=NN(C=[N+]2C)C.C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H21N6.C7H5NO4/c1-5-20(6-2)13-9-7-12(8-10-13)15-16-14-17-19(4)11-18(14)3;9-7(10)5-1-3-6(4-2-5)8(11)12/h7-11H,5-6H2,1-4H3;1-4H,(H,9,10)/q+1;/p-1