1-[4-[[6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[(6-nitro-1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone CAS Name: 1-[4-[(6-nitro-1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone IUPAC Name: 1-[4-[(6-nitro-1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]ethanone Traditional Name: 1-[4-[(1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)amino]phenyl]ethanone Formula: C15H11N3O5S MolecularWeight: 345.32994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O5S/c1-9(19)10-2-4-11(5-3-10)16-15-13-7-6-12(18(20)21)8-14(13)24(22,23)17-15/h2-8H,1H3,(H,16,17)