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

Systemtic Name: dimethyl 5-[(5-nitro-6-pyridin-3-yloxy-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-nitro-6-(3-pyridyloxy)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-nitro-6-(3-pyridinyloxy)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-nitro-6-(3-pyridyloxy)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H15N5O7 MolecularWeight: 425.3517

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)OC3=CN=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)OC3=CN=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H15N5O7/c1-29-18(25)11-6-12(19(26)30-2)8-13(7-11)23-16-15(24(27)28)17(22-10-21-16)31-14-4-3-5-20-9-14/h3-10H,1-2H3,(H,21,22,23)