2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanone Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanone CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanone Formula: C15H11N2O3S+ MolecularWeight: 299.32444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=CS2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=CS2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N2O3S/c18-14(11-5-7-12(8-6-11)17(19)20)9-16-10-21-15-4-2-1-3-13(15)16/h1-8,10H,9H2/q+1