propyl 2-(6-nitro-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: propyl 2-(6-nitro-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate Openeye Name: propyl 2-(6-nitro-2-oxo-1,3-benzothiazol-3-yl)acetate CAS Name: 2-(6-nitro-2-oxo-1,3-benzothiazol-3-yl)acetic acid propyl ester IUPAC Name: propyl 2-(6-nitro-2-oxo-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(2-keto-6-nitro-1,3-benzothiazol-3-yl)acetic acid propyl ester Formula: C12H12N2O5S MolecularWeight: 296.29908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=O

Isomeric SMILES

CCCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=O

InChI

InChI=1S/C12H12N2O5S/c1-2-5-19-11(15)7-13-9-4-3-8(14(17)18)6-10(9)20-12(13)16/h3-4,6H,2,5,7H2,1H3