(NE)-N-(3-bromanyl-2,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-nitro-benzenesulfonamide

Systemtic Name: (NE)-N-(3-bromanyl-2,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-nitro-benzenesulfonamide Openeye Name: (NE)-N-(3-bromo-2,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3-nitro-benzenesulfonamide CAS Name: (NE)-N-(3-bromo-2,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)-3-nitrobenzenesulfonamide IUPAC Name: (NE)-N-(3-bromo-2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-nitrobenzenesulfonamide Traditional Name: (NE)-N-(3-bromo-4-keto-2,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)-3-nitro-benzenesulfonamide Formula: C14H11BrN2O5S MolecularWeight: 399.21654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11BrN2O5S/c1-8-6-12(9(2)13(15)14(8)18)16-23(21,22)11-5-3-4-10(7-11)17(19)20/h3-7H,1-2H3/b16-12+