ethyl 3-[[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[5-nitro-6-[2-(p-tolylsulfonyl)hydrazino]pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-[(4-methylphenyl)sulfonylhydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[5-nitro-6-(N'-tosylhydrazino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H20N6O6S MolecularWeight: 472.4744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NNS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NNS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O6S/c1-3-32-20(27)14-5-4-6-15(11-14)23-18-17(26(28)29)19(22-12-21-18)24-25-33(30,31)16-9-7-13(2)8-10-16/h4-12,25H,3H2,1-2H3,(H2,21,22,23,24)