methyl 2-[6-nitro-1,3-bis(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoate

Systemtic Name: methyl 2-[6-nitro-1,3-bis(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoate Openeye Name: methyl 2-(6-nitro-1,3-dioxo-1,2-benzothiazol-2-yl)acetate CAS Name: 2-(6-nitro-1,3-dioxo-1,2-benzothiazol-2-yl)acetic acid methyl ester IUPAC Name: methyl 2-(6-nitro-1,3-dioxo-1,2-benzothiazol-2-yl)acetate Traditional Name: 2-(1,3-diketo-6-nitro-1,2-benzothiazol-2-yl)acetic acid methyl ester Formula: C10H8N2O6S MolecularWeight: 284.24532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=C(S1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN1C(=O)C2=C(S1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O6S/c1-18-9(13)5-11-10(14)7-3-2-6(12(15)16)4-8(7)19(11)17/h2-4H,5H2,1H3