(5-nitro-2,1-benzothiazol-3-yl) benzoate

Systemtic Name: (5-nitro-2,1-benzothiazol-3-yl) benzoate Openeye Name: (5-nitro-2,1-benzothiazol-3-yl) benzoate CAS Name: benzoic acid (5-nitro-2,1-benzothiazol-3-yl) ester IUPAC Name: (5-nitro-2,1-benzothiazol-3-yl) benzoate Traditional Name: benzoic acid (5-nitro-2,1-benzothiazol-3-yl) ester Formula: C14H8N2O4S MolecularWeight: 300.28932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]

InChI

InChI=1S/C14H8N2O4S/c17-13(9-4-2-1-3-5-9)20-14-11-8-10(16(18)19)6-7-12(11)15-21-14/h1-8H