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

Systemtic Name: dimethyl 5-[[5-nitro-6-[2-(phenylcarbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-(2-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-(benzoylhydrazo)-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-(N'-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H18N6O7 MolecularWeight: 466.40362

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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=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H18N6O7/c1-33-20(29)13-8-14(21(30)34-2)10-15(9-13)24-17-16(27(31)32)18(23-11-22-17)25-26-19(28)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,26,28)(H2,22,23,24,25)