5,7-dinitro-2-phenyl-1,2-benzothiazol-3-one

Systemtic Name: 5,7-dinitro-2-phenyl-1,2-benzothiazol-3-one Openeye Name: 5,7-dinitro-2-phenyl-1,2-benzothiazol-3-one CAS Name: 5,7-dinitro-2-phenyl-1,2-benzothiazol-3-one IUPAC Name: 5,7-dinitro-2-phenyl-1,2-benzothiazol-3-one Traditional Name: 5,7-dinitro-2-phenyl-1,2-benzothiazol-3-one Formula: C13H7N3O5S MolecularWeight: 317.27678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC(=CC(=C3S2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC(=CC(=C3S2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H7N3O5S/c17-13-10-6-9(15(18)19)7-11(16(20)21)12(10)22-14(13)8-4-2-1-3-5-8/h1-7H