ethyl 2-[(4,6-dinitro-1,2-benzothiazol-3-yl)oxy]ethanoate

Systemtic Name: ethyl 2-[(4,6-dinitro-1,2-benzothiazol-3-yl)oxy]ethanoate Openeye Name: ethyl 2-[(4,6-dinitro-1,2-benzothiazol-3-yl)oxy]acetate CAS Name: 2-[(4,6-dinitro-1,2-benzothiazol-3-yl)oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4,6-dinitro-1,2-benzothiazol-3-yl)oxy]acetate Traditional Name: 2-[(4,6-dinitro-1,2-benzothiazol-3-yl)oxy]acetic acid ethyl ester Formula: C11H9N3O7S MolecularWeight: 327.27006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=NSC2=CC(=CC(=C21)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)COC1=NSC2=CC(=CC(=C21)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O7S/c1-2-20-9(15)5-21-11-10-7(14(18)19)3-6(13(16)17)4-8(10)22-12-11/h3-4H,2,5H2,1H3