2-(2-methyl-4-nitro-phenyl)-5-methylsulfonyl-isoindole-1,3-dione

Systemtic Name: 2-(2-methyl-4-nitro-phenyl)-5-methylsulfonyl-isoindole-1,3-dione Openeye Name: 2-(2-methyl-4-nitro-phenyl)-5-methylsulfonyl-isoindoline-1,3-dione CAS Name: 2-(2-methyl-4-nitrophenyl)-5-methylsulfonylisoindole-1,3-dione IUPAC Name: 2-(2-methyl-4-nitrophenyl)-5-methylsulfonylisoindole-1,3-dione Traditional Name: 5-mesyl-2-(2-methyl-4-nitro-phenyl)isoindoline-1,3-quinone Formula: C16H12N2O6S MolecularWeight: 360.34128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C16H12N2O6S/c1-9-7-10(18(21)22)3-6-14(9)17-15(19)12-5-4-11(25(2,23)24)8-13(12)16(17)20/h3-8H,1-2H3