2-methyl-2-[[2-nitro-4-(4-nitrophenyl)sulfonyl-phenyl]amino]propane-1,3-diol

Systemtic Name: 2-methyl-2-[[2-nitro-4-(4-nitrophenyl)sulfonyl-phenyl]amino]propane-1,3-diol Openeye Name: 2-methyl-2-[2-nitro-4-(4-nitrophenyl)sulfonyl-anilino]propane-1,3-diol CAS Name: 2-methyl-2-[2-nitro-4-(4-nitrophenyl)sulfonylanilino]propane-1,3-diol IUPAC Name: 2-methyl-2-[2-nitro-4-(4-nitrophenyl)sulfonylanilino]propane-1,3-diol Traditional Name: 2-methyl-2-(2-nitro-4-nosyl-anilino)propane-1,3-diol Formula: C16H17N3O8S MolecularWeight: 411.38648

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(CO)(CO)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O8S/c1-16(9-20,10-21)17-14-7-6-13(8-15(14)19(24)25)28(26,27)12-4-2-11(3-5-12)18(22)23/h2-8,17,20-21H,9-10H2,1H3