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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,5-dinitro-benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-3,5-dinitro-benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-3,5-dinitrobenzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,5-dinitrobenzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-3,5-dinitro-benzamide Formula: C19H11BrN4O6S MolecularWeight: 503.28284

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN(C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CN(C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H11BrN4O6S/c20-12-3-4-16-17(8-12)31-19(21-16)22(10-15-2-1-5-30-15)18(25)11-6-13(23(26)27)9-14(7-11)24(28)29/h1-9H,10H2