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

Systemtic Name: (NE)-N-(3-bromanyl-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-nitro-benzenesulfonamide Openeye Name: (NE)-N-(3-bromo-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3-nitro-benzenesulfonamide CAS Name: (NE)-N-(3-bromo-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)-3-nitrobenzenesulfonamide IUPAC Name: (NE)-N-(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-nitrobenzenesulfonamide Traditional Name: (NE)-N-(3-bromo-4-keto-5-methyl-cyclohexa-2,5-dien-1-ylidene)-3-nitro-benzenesulfonamide Formula: C13H9BrN2O5S MolecularWeight: 385.18996

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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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrN2O5S/c1-8-5-9(6-12(14)13(8)17)15-22(20,21)11-4-2-3-10(7-11)16(18)19/h2-7H,1H3/b15-9+