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4-ethoxy-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

4-ethoxy-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name:4-ethoxy-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Openeye Name:4-ethoxy-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CAS Name:4-ethoxy-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
IUPAC Name:4-ethoxy-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Traditional Name:4-ethoxy-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Formula: C16H12N4O6S
MolecularWeight: 388.35468
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C16H12N4O6S/c1-2-26-13-6-3-9(7-12(13)20(24)25)15(21)18-16-17-11-5-4-10(19(22)23)8-14(11)27-16/h3-8H,2H2,1H3,(H,17,18,21)


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