2-methyl-1-(2-nitrophenyl)-1,2-benzothiazol-1-ium-3-one

Systemtic Name: 2-methyl-1-(2-nitrophenyl)-1,2-benzothiazol-1-ium-3-one Openeye Name: 2-methyl-1-(2-nitrophenyl)-1,2-benzothiazol-1-ium-3-one CAS Name: 2-methyl-1-(2-nitrophenyl)-1,2-benzothiazol-1-ium-3-one IUPAC Name: 2-methyl-1-(2-nitrophenyl)-1,2-benzothiazol-1-ium-3-one Traditional Name: 2-methyl-1-(2-nitrophenyl)-1,2-benzothiazol-1-ium-3-one Formula: C14H11N2O3S+ MolecularWeight: 287.31374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2[S+]1C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2[S+]1C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C14H11N2O3S/c1-15-14(17)10-6-2-4-8-12(10)20(15)13-9-5-3-7-11(13)16(18)19/h2-9H,1H3/q+1