2-(3-nitrophenyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-(3-nitrophenyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-(3-nitrophenyl)-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-(3-nitrophenyl)-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-(3-nitrophenyl)-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-(3-nitrophenyl)-1,2-benzothiazol-3-one Formula: C13H8N2O5S MolecularWeight: 304.27802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N2O5S/c16-13-11-6-1-2-7-12(11)21(19,20)14(13)9-4-3-5-10(8-9)15(17)18/h1-8H