ethyl 2-cyano-2-(5-nitro-1,2-benzothiazol-3-yl)ethanoate

Systemtic Name: ethyl 2-cyano-2-(5-nitro-1,2-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 2-cyano-2-(5-nitro-1,2-benzothiazol-3-yl)acetate CAS Name: 2-cyano-2-(5-nitro-1,2-benzothiazol-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(5-nitro-1,2-benzothiazol-3-yl)acetate Traditional Name: 2-cyano-2-(5-nitro-1,2-benzothiazol-3-yl)acetic acid ethyl ester Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=NSC2=C1C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C#N)C1=NSC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O4S/c1-2-19-12(16)9(6-13)11-8-5-7(15(17)18)3-4-10(8)20-14-11/h3-5,9H,2H2,1H3