6-(2-hydroxyethylsulfanyl)-1,4-dimethyl-7-nitro-quinoxaline-2,3-dione

Systemtic Name: 6-(2-hydroxyethylsulfanyl)-1,4-dimethyl-7-nitro-quinoxaline-2,3-dione Openeye Name: 6-(2-hydroxyethylsulfanyl)-1,4-dimethyl-7-nitro-quinoxaline-2,3-dione CAS Name: 6-(2-hydroxyethylthio)-1,4-dimethyl-7-nitroquinoxaline-2,3-dione IUPAC Name: 6-(2-hydroxyethylsulfanyl)-1,4-dimethyl-7-nitroquinoxaline-2,3-dione Traditional Name: 6-(2-hydroxyethylthio)-1,4-dimethyl-7-nitro-quinoxaline-2,3-quinone Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2N(C(=O)C1=O)C)SCCO)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC(=C(C=C2N(C(=O)C1=O)C)SCCO)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5S/c1-13-7-5-9(15(19)20)10(21-4-3-16)6-8(7)14(2)12(18)11(13)17/h5-6,16H,3-4H2,1-2H3