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

Systemtic Name: methyl 2-[[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[5-nitro-6-[2-(p-tolylsulfonyl)hydrazino]pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-[(4-methylphenyl)sulfonylhydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-nitro-6-(N'-tosylhydrazino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H18N6O6S MolecularWeight: 458.44782

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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=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C19H18N6O6S/c1-12-7-9-13(10-8-12)32(29,30)24-23-18-16(25(27)28)17(20-11-21-18)22-15-6-4-3-5-14(15)19(26)31-2/h3-11,24H,1-2H3,(H2,20,21,22,23)