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

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

Systemtic Name:heptyl 2-(6-nitro-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate
Openeye Name:heptyl 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 heptyl ester
IUPAC Name:heptyl 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 heptyl ester
Formula: C16H20N2O5S
MolecularWeight: 352.4054
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H20N2O5S/c1-2-3-4-5-6-9-23-15(19)11-17-13-8-7-12(18(21)22)10-14(13)24-16(17)20/h7-8,10H,2-6,9,11H2,1H3


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