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

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

Systemtic Name:dipropyl 2-(6-nitro-2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate
Openeye Name:dipropyl 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 dipropyl ester
IUPAC Name:dipropyl 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 dipropyl ester
Formula: C16H18N2O7S
MolecularWeight: 382.38832
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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C(=O)OCCC)N1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=O


Isomeric SMILES

CCCOC(=O)C(C(=O)OCCC)N1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=O


InChI

InChI=1S/C16H18N2O7S/c1-3-7-24-14(19)13(15(20)25-8-4-2)17-11-6-5-10(18(22)23)9-12(11)26-16(17)21/h5-6,9,13H,3-4,7-8H2,1-2H3


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