7-(4-nitrophenyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 7-(4-nitrophenyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 7-(4-nitrophenyl)-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 7-(4-nitrophenyl)-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 7-(4-nitrophenyl)-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-7-(4-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)NS2(=O)=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C(=C1)C(=O)NS2(=O)=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O5S/c16-13-11-3-1-2-10(12(11)21(19,20)14-13)8-4-6-9(7-5-8)15(17)18/h1-7H,(H,14,16)