N-(6-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide

Systemtic Name: N-(6-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Openeye Name: N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide CAS Name: N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide IUPAC Name: N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide Traditional Name: N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Formula: C16H11BrN4O5S MolecularWeight: 451.25134

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11BrN4O5S/c1-2-19-13-4-3-10(17)7-14(13)27-16(19)18-15(22)9-5-11(20(23)24)8-12(6-9)21(25)26/h3-8H,2H2,1H3