N'-[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide

Systemtic Name: N'-[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: 3-nitro-N'-[5-nitro-6-[2-(p-tolylsulfonyl)hydrazino]pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-[(4-methylphenyl)sulfonylhydrazo]-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: N'-[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: 3-nitro-N'-[5-nitro-6-(N'-tosylhydrazino)pyrimidin-4-yl]benzohydrazide Formula: C18H16N8O7S MolecularWeight: 488.43404

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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-])NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H16N8O7S/c1-11-5-7-14(8-6-11)34(32,33)24-22-17-15(26(30)31)16(19-10-20-17)21-23-18(27)12-3-2-4-13(9-12)25(28)29/h2-10,24H,1H3,(H,23,27)(H2,19,20,21,22)