N-(6-bromanyl-1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide Formula: C14H7BrN4O5S MolecularWeight: 423.19818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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