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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-chloranyl-3,5-dinitro-benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloro-3,5-dinitro-benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloro-3,5-dinitrobenzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloro-3,5-dinitrobenzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloro-3,5-dinitro-benzamide Formula: C14H6BrClN4O5S MolecularWeight: 457.64324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)SC(=N2)NC(=O)C3=CC(=CC(=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)SC(=N2)NC(=O)C3=CC(=CC(=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H6BrClN4O5S/c15-6-1-2-9-11(3-6)26-14(17-9)18-13(21)8-4-7(19(22)23)5-10(12(8)16)20(24)25/h1-5H,(H,17,18,21)