N-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)-3-ethenyl-2-nitro-benzenesulfonamide

Systemtic Name: N-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)-3-ethenyl-2-nitro-benzenesulfonamide Openeye Name: N-(4-bromo-3-methyl-isoxazol-5-yl)-2-nitro-3-vinyl-benzenesulfonamide CAS Name: N-(4-bromo-3-methyl-5-isoxazolyl)-3-ethenyl-2-nitrobenzenesulfonamide IUPAC Name: N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-ethenyl-2-nitrobenzenesulfonamide Traditional Name: N-(4-bromo-3-methyl-isoxazol-5-yl)-2-nitro-3-vinyl-benzenesulfonamide Formula: C12H10BrN3O5S MolecularWeight: 388.1939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1Br)NS(=O)(=O)C2=CC=CC(=C2[N+](=O)[O-])C=C

Isomeric SMILES

CC1=NOC(=C1Br)NS(=O)(=O)C2=CC=CC(=C2[N+](=O)[O-])C=C

InChI

InChI=1S/C12H10BrN3O5S/c1-3-8-5-4-6-9(11(8)16(17)18)22(19,20)15-12-10(13)7(2)14-21-12/h3-6,15H,1H2,2H3