2-(3-nitro-4-quinolin-8-ylsulfanyl-phenyl)-1,3-dioxane-4,6-dione

Systemtic Name: 2-(3-nitro-4-quinolin-8-ylsulfanyl-phenyl)-1,3-dioxane-4,6-dione Openeye Name: 2-[3-nitro-4-(8-quinolylsulfanyl)phenyl]-1,3-dioxane-4,6-dione CAS Name: 2-[3-nitro-4-(8-quinolinylthio)phenyl]-1,3-dioxane-4,6-dione IUPAC Name: 2-(3-nitro-4-quinolin-8-ylsulfanylphenyl)-1,3-dioxane-4,6-dione Traditional Name: 2-[3-nitro-4-(8-quinolylthio)phenyl]-1,3-dioxane-4,6-quinone Formula: C19H12N2O6S MolecularWeight: 396.37338

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)OC(OC1=O)C2=CC(=C(C=C2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)OC(OC1=O)C2=CC(=C(C=C2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H12N2O6S/c22-16-10-17(23)27-19(26-16)12-6-7-14(13(9-12)21(24)25)28-15-5-1-3-11-4-2-8-20-18(11)15/h1-9,19H,10H2