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diethyl 2-(6-nitro-2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate

diethyl 2-(6-nitro-2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate

Systemtic Name:diethyl 2-(6-nitro-2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate
Openeye Name:diethyl 2-(6-nitro-2-oxo-1,3-benzothiazol-3-yl)propanedioate
CAS Name:2-(6-nitro-2-oxo-1,3-benzothiazol-3-yl)propanedioic acid diethyl ester
IUPAC Name:diethyl 2-(6-nitro-2-oxo-1,3-benzothiazol-3-yl)propanedioate
Traditional Name:2-(2-keto-6-nitro-1,3-benzothiazol-3-yl)malonic acid diethyl ester
Formula: C14H14N2O7S
MolecularWeight: 354.33516
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)N1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=O


Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=O


InChI

InChI=1S/C14H14N2O7S/c1-3-22-12(17)11(13(18)23-4-2)15-9-6-5-8(16(20)21)7-10(9)24-14(15)19/h5-7,11H,3-4H2,1-2H3


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