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2-[3-(dimethylamino)propyl]-5,7-dinitro-1,2-benzothiazol-3-one

2-[3-(dimethylamino)propyl]-5,7-dinitro-1,2-benzothiazol-3-one

Systemtic Name:2-[3-(dimethylamino)propyl]-5,7-dinitro-1,2-benzothiazol-3-one
Openeye Name:2-[3-(dimethylamino)propyl]-5,7-dinitro-1,2-benzothiazol-3-one
CAS Name:2-[3-(dimethylamino)propyl]-5,7-dinitro-1,2-benzothiazol-3-one
IUPAC Name:2-[3-(dimethylamino)propyl]-5,7-dinitro-1,2-benzothiazol-3-one
Traditional Name:2-[3-(dimethylamino)propyl]-5,7-dinitro-1,2-benzothiazol-3-one
Formula: C12H14N4O5S
MolecularWeight: 326.32836
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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C(=O)C2=CC(=CC(=C2S1)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

CN(C)CCCN1C(=O)C2=CC(=CC(=C2S1)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C12H14N4O5S/c1-13(2)4-3-5-14-12(17)9-6-8(15(18)19)7-10(16(20)21)11(9)22-14/h6-7H,3-5H2,1-2H3


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