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

Systemtic Name: dimethyl 5-[[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H20N4O7 MolecularWeight: 452.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C22H20N4O7/c1-12-5-13(2)7-17(6-12)33-20-18(26(29)30)19(23-11-24-20)25-16-9-14(21(27)31-3)8-15(10-16)22(28)32-4/h5-11H,1-4H3,(H,23,24,25)