2-(4-nitrophenyl)-1,1-bis(oxidanylidene)-4,5,6,7-tetrahydro-3H-1,2-benzothiazol-3-ol

Systemtic Name: 2-(4-nitrophenyl)-1,1-bis(oxidanylidene)-4,5,6,7-tetrahydro-3H-1,2-benzothiazol-3-ol Openeye Name: 2-(4-nitrophenyl)-1,1-dioxo-4,5,6,7-tetrahydro-3H-1,2-benzothiazol-3-ol CAS Name: 2-(4-nitrophenyl)-1,1-dioxo-4,5,6,7-tetrahydro-3H-1,2-benzothiazol-3-ol IUPAC Name: 2-(4-nitrophenyl)-1,1-dioxo-4,5,6,7-tetrahydro-3H-1,2-benzothiazol-3-ol Traditional Name: 1,1-diketo-2-(4-nitrophenyl)-4,5,6,7-tetrahydro-3H-1,2-benzothiazol-3-ol Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(N(S2(=O)=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CCC2=C(C1)C(N(S2(=O)=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C13H14N2O5S/c16-13-11-3-1-2-4-12(11)21(19,20)14(13)9-5-7-10(8-6-9)15(17)18/h5-8,13,16H,1-4H2