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

Systemtic Name: methyl 2-(6-nitro-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C10H8N2O5S MolecularWeight: 268.24592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O5S/c1-17-9(13)5-11-7-3-2-6(12(15)16)4-8(7)18-10(11)14/h2-4H,5H2,1H3