dimethyl 5-[[5-nitro-6-[(4-phenyldiazenylphenyl)amino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[5-nitro-6-[(4-phenyldiazenylphenyl)amino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-nitro-6-(4-phenyldiazenylanilino)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-nitro-6-(4-phenyldiazenylanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C26H21N7O6 MolecularWeight: 527.48824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)N=NC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)N=NC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H21N7O6/c1-38-25(34)16-12-17(26(35)39-2)14-21(13-16)30-24-22(33(36)37)23(27-15-28-24)29-18-8-10-20(11-9-18)32-31-19-6-4-3-5-7-19/h3-15H,1-2H3,(H2,27,28,29,30)