5-isoquinolin-5-ylsulfonyl-6-nitro-3H-1,3-benzoxazol-2-one

Systemtic Name: 5-isoquinolin-5-ylsulfonyl-6-nitro-3H-1,3-benzoxazol-2-one Openeye Name: 5-(5-isoquinolylsulfonyl)-6-nitro-3H-1,3-benzoxazol-2-one CAS Name: 5-(5-isoquinolinylsulfonyl)-6-nitro-3H-1,3-benzoxazol-2-one IUPAC Name: 5-isoquinolin-5-ylsulfonyl-6-nitro-3H-1,3-benzoxazol-2-one Traditional Name: 5-(5-isoquinolylsulfonyl)-6-nitro-3H-1,3-benzoxazol-2-one Formula: C16H9N3O6S MolecularWeight: 371.32416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)C3=C(C=C4C(=C3)NC(=O)O4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)C3=C(C=C4C(=C3)NC(=O)O4)[N+](=O)[O-]

InChI

InChI=1S/C16H9N3O6S/c20-16-18-11-6-15(12(19(21)22)7-13(11)25-16)26(23,24)14-3-1-2-9-8-17-5-4-10(9)14/h1-8H,(H,18,20)