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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Formula: C14H7BrN4O5S MolecularWeight: 423.19818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)SC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)SC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H7BrN4O5S/c15-8-1-2-11-12(5-8)25-14(16-11)17-13(20)7-3-9(18(21)22)6-10(4-7)19(23)24/h1-6H,(H,16,17,20)