1-[3-methyl-3-(4-methylsulfonyl-2-nitro-phenoxy)-2-oxidanylidene-butyl]pyrrolidine-2,5-dione

Systemtic Name: 1-[3-methyl-3-(4-methylsulfonyl-2-nitro-phenoxy)-2-oxidanylidene-butyl]pyrrolidine-2,5-dione Openeye Name: 1-[3-methyl-3-(4-methylsulfonyl-2-nitro-phenoxy)-2-oxo-butyl]pyrrolidine-2,5-dione CAS Name: 1-[3-methyl-3-(4-methylsulfonyl-2-nitrophenoxy)-2-oxobutyl]pyrrolidine-2,5-dione IUPAC Name: 1-[3-methyl-3-(4-methylsulfonyl-2-nitrophenoxy)-2-oxobutyl]pyrrolidine-2,5-dione Traditional Name: 1-[2-keto-3-(4-mesyl-2-nitro-phenoxy)-3-methyl-butyl]pyrrolidine-2,5-quinone Formula: C16H18N2O8S MolecularWeight: 398.38772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)CN1C(=O)CCC1=O)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)CN1C(=O)CCC1=O)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O8S/c1-16(2,13(19)9-17-14(20)6-7-15(17)21)26-12-5-4-10(27(3,24)25)8-11(12)18(22)23/h4-5,8H,6-7,9H2,1-3H3