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

Systemtic Name: pentyl 2-(6-nitro-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O5S/c1-2-3-4-7-21-13(17)9-15-11-6-5-10(16(19)20)8-12(11)22-14(15)18/h5-6,8H,2-4,7,9H2,1H3