2-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(5-nitro-2-oxo-1-pyridyl)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-(5-nitro-2-oxo-1-pyridinyl)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(5-nitro-2-oxopyridin-1-yl)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[2-(2-keto-5-nitro-1-pyridyl)ethyl]-1,2-benzothiazol-3-one Formula: C14H11N3O6S MolecularWeight: 349.31864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O6S/c18-13-6-5-10(17(20)21)9-15(13)7-8-16-14(19)11-3-1-2-4-12(11)24(16,22)23/h1-6,9H,7-8H2