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

Systemtic Name: dimethyl 5-[[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H17ClN4O7 MolecularWeight: 472.83528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4O7/c1-11-6-15(4-5-16(11)22)33-19-17(26(29)30)18(23-10-24-19)25-14-8-12(20(27)31-2)7-13(9-14)21(28)32-3/h4-10H,1-3H3,(H,23,24,25)