(NE)-N-[2,3-bis(bromanyl)-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-3-nitro-benzenesulfonamide

Systemtic Name: (NE)-N-[2,3-bis(bromanyl)-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-3-nitro-benzenesulfonamide Openeye Name: (NE)-N-(2,3-dibromo-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3-nitro-benzenesulfonamide CAS Name: (NE)-N-(2,3-dibromo-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-3-nitrobenzenesulfonamide IUPAC Name: (NE)-N-(2,3-dibromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-nitrobenzenesulfonamide Traditional Name: (NE)-N-(2,3-dibromo-4-keto-5-methyl-cyclohexa-2,5-dien-1-ylidene)-3-nitro-benzenesulfonamide Formula: C13H8Br2N2O5S MolecularWeight: 464.08602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C(=C(C1=O)Br)Br

Isomeric SMILES

CC1=C/C(=N\S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])/C(=C(C1=O)Br)Br

InChI

InChI=1S/C13H8Br2N2O5S/c1-7-5-10(11(14)12(15)13(7)18)16-23(21,22)9-4-2-3-8(6-9)17(19)20/h2-6H,1H3/b16-10+