2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,2-benzothiazol-3-one Formula: C16H12N2O7S MolecularWeight: 376.34068

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CN3C(=O)C4=CC=CC=C4S3(=O)=O)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CN3C(=O)C4=CC=CC=C4S3(=O)=O)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O7S/c19-16-13-3-1-2-4-14(13)26(22,23)17(16)7-10-5-12(18(20)21)6-11-8-24-9-25-15(10)11/h1-6H,7-9H2