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

Systemtic Name: dimethyl 5-[[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-nitro-6-[2-(p-tolylsulfonyl)hydrazino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-[(4-methylphenyl)sulfonylhydrazo]-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-nitro-6-(N'-tosylhydrazino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H20N6O8S MolecularWeight: 516.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H20N6O8S/c1-12-4-6-16(7-5-12)36(32,33)26-25-19-17(27(30)31)18(22-11-23-19)24-15-9-13(20(28)34-2)8-14(10-15)21(29)35-3/h4-11,26H,1-3H3,(H2,22,23,24,25)