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

Systemtic Name: (NE)-N-[3,5-bis(bromanyl)-2-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-3-nitro-benzenesulfonamide Openeye Name: (NE)-N-(3,5-dibromo-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3-nitro-benzenesulfonamide CAS Name: (NE)-N-(3,5-dibromo-2-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-3-nitrobenzenesulfonamide IUPAC Name: (NE)-N-(3,5-dibromo-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-nitrobenzenesulfonamide Traditional Name: (NE)-N-(3,5-dibromo-4-keto-2-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=C(C(=O)C(=CC1=NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])Br)Br

Isomeric SMILES

CC\1=C(C(=O)C(=C/C1=N\S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])Br)Br

InChI

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