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

Systemtic Name: dimethyl 5-[[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-nitro-6-(2-phenylhydrazino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-nitro-6-(phenylhydrazo)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-nitro-6-(N'-phenylhydrazino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H18N6O6 MolecularWeight: 438.39352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NNC3=CC=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NNC3=CC=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H18N6O6/c1-31-19(27)12-8-13(20(28)32-2)10-15(9-12)23-17-16(26(29)30)18(22-11-21-17)25-24-14-6-4-3-5-7-14/h3-11,24H,1-2H3,(H2,21,22,23,25)