2-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-(5-nitro-1,3-benzoxazol-2-yl)ethanenitrile

Systemtic Name: 2-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-(5-nitro-1,3-benzoxazol-2-yl)ethanenitrile Openeye Name: 2-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(5-nitro-1,3-benzoxazol-2-yl)acetonitrile CAS Name: 2-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(5-nitro-1,3-benzoxazol-2-yl)acetonitrile IUPAC Name: 2-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(5-nitro-1,3-benzoxazol-2-yl)acetonitrile Traditional Name: 2-(1,1-diketo-1,2-benzothiazol-3-yl)-2-(5-nitro-1,3-benzoxazol-2-yl)acetonitrile Formula: C16H8N4O5S MolecularWeight: 368.32352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)C(C#N)C3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)C(C#N)C3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H8N4O5S/c17-8-11(15-10-3-1-2-4-14(10)26(23,24)19-15)16-18-12-7-9(20(21)22)5-6-13(12)25-16/h1-7,11H