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

Systemtic Name: dimethyl 5-[[5-nitro-6-(2-pyridin-4-ylcarbonylhydrazinyl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-nitro-6-[2-(pyridine-4-carbonyl)hydrazino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-nitro-6-[[oxo(pyridin-4-yl)methyl]hydrazo]-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-nitro-6-[2-(pyridine-4-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-(N'-isonicotinoylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H17N7O7 MolecularWeight: 467.39168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N7O7/c1-33-19(29)12-7-13(20(30)34-2)9-14(8-12)24-16-15(27(31)32)17(23-10-22-16)25-26-18(28)11-3-5-21-6-4-11/h3-10H,1-2H3,(H,26,28)(H2,22,23,24,25)