2-[4-(3-nitrophenoxy)butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[4-(3-nitrophenoxy)butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[4-(3-nitrophenoxy)butyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[4-(3-nitrophenoxy)butyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[4-(3-nitrophenoxy)butyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[4-(3-nitrophenoxy)butyl]-1,2-benzothiazol-3-one Formula: C17H16N2O6S MolecularWeight: 376.38374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCCOC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCCOC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6S/c20-17-15-8-1-2-9-16(15)26(23,24)18(17)10-3-4-11-25-14-7-5-6-13(12-14)19(21)22/h1-2,5-9,12H,3-4,10-11H2