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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N=C2C=CC(=O)C(=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)/N=C/2\C=CC(=O)C(=C2)Br)[N+](=O)[O-]

InChI

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