(NE)-3-nitro-N-[3,5,6-tris(bromanyl)-2,5-dimethyl-4-oxidanylidene-cyclohex-2-en-1-ylidene]benzenesulfonamide

Systemtic Name: (NE)-3-nitro-N-[3,5,6-tris(bromanyl)-2,5-dimethyl-4-oxidanylidene-cyclohex-2-en-1-ylidene]benzenesulfonamide Openeye Name: (NE)-3-nitro-N-(3,5,6-tribromo-2,5-dimethyl-4-oxo-cyclohex-2-en-1-ylidene)benzenesulfonamide CAS Name: (NE)-3-nitro-N-(3,5,6-tribromo-2,5-dimethyl-4-oxo-1-cyclohex-2-enylidene)benzenesulfonamide IUPAC Name: (NE)-3-nitro-N-(3,5,6-tribromo-2,5-dimethyl-4-oxocyclohex-2-en-1-ylidene)benzenesulfonamide Traditional Name: (NE)-3-nitro-N-(3,5,6-tribromo-4-keto-2,5-dimethyl-cyclohex-2-en-1-ylidene)benzenesulfonamide Formula: C14H11Br3N2O5S MolecularWeight: 559.02454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11Br3N2O5S/c1-7-10(15)13(20)14(2,17)12(16)11(7)18-25(23,24)9-5-3-4-8(6-9)19(21)22/h3-6,12H,1-2H3/b18-11+