1-methyl-4-nitro-benzene; 1-sulfanylpyrrolidine-2,5-dione

Systemtic Name: 1-methyl-4-nitro-benzene; 1-sulfanylpyrrolidine-2,5-dione Openeye Name: 1-methyl-4-nitro-benzene; 1-sulfanylpyrrolidine-2,5-dione CAS Name: 1-mercaptopyrrolidine-2,5-dione; 1-methyl-4-nitrobenzene IUPAC Name: 1-methyl-4-nitrobenzene; 1-sulfanylpyrrolidine-2,5-dione Traditional Name: 1-mercaptopyrrolidine-2,5-quinone; 1-methyl-4-nitro-benzene Formula: C11H12N2O4S MolecularWeight: 268.28898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+](=O)[O-].C1CC(=O)N(C1=O)S

Isomeric SMILES

CC1=CC=C(C=C1)[N+](=O)[O-].C1CC(=O)N(C1=O)S

InChI

InChI=1S/C7H7NO2.C4H5NO2S/c1-6-2-4-7(5-3-6)8(9)10;6-3-1-2-4(7)5(3)8/h2-5H,1H3;8H,1-2H2