4-(2-methylphenyl)-5-methylsulfonyl-6-nitro-isoindole-1,3-dione

Systemtic Name: 4-(2-methylphenyl)-5-methylsulfonyl-6-nitro-isoindole-1,3-dione Openeye Name: 5-methylsulfonyl-6-nitro-4-(o-tolyl)isoindoline-1,3-dione CAS Name: 4-(2-methylphenyl)-5-methylsulfonyl-6-nitroisoindole-1,3-dione IUPAC Name: 4-(2-methylphenyl)-5-methylsulfonyl-6-nitroisoindole-1,3-dione Traditional Name: 5-mesyl-6-nitro-4-(o-tolyl)isoindoline-1,3-quinone Formula: C16H12N2O6S MolecularWeight: 360.34128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3C(=CC(=C2S(=O)(=O)C)[N+](=O)[O-])C(=O)NC3=O

Isomeric SMILES

CC1=CC=CC=C1C2=C3C(=CC(=C2S(=O)(=O)C)[N+](=O)[O-])C(=O)NC3=O

InChI

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