dimethyl 5-[[6-[(2,4-dimethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[6-[(2,4-dimethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-(2,4-dimethoxyanilino)-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(2,4-dimethoxyanilino)-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H21N5O8 MolecularWeight: 483.43084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C22H21N5O8/c1-32-15-5-6-16(17(10-15)33-2)26-20-18(27(30)31)19(23-11-24-20)25-14-8-12(21(28)34-3)7-13(9-14)22(29)35-4/h5-11H,1-4H3,(H2,23,24,25,26)