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

Systemtic Name: 2-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-hydroxy-3-(4-nitrophenoxy)propyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-hydroxy-3-(4-nitrophenoxy)propyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-hydroxy-3-(4-nitrophenoxy)propyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[2-hydroxy-3-(4-nitrophenoxy)propyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C16H14N2O7S MolecularWeight: 378.35656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H14N2O7S/c19-12(10-25-13-7-5-11(6-8-13)18(21)22)9-17-16(20)14-3-1-2-4-15(14)26(17,23)24/h1-8,12,19H,9-10H2