N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Formula: C14H6F2N4O5S MolecularWeight: 380.283046

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC2=NC3=C(C=C(C=C3S2)F)F

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC2=NC3=C(C=C(C=C3S2)F)F

InChI

InChI=1S/C14H6F2N4O5S/c15-7-3-10(16)12-11(4-7)26-14(17-12)18-13(21)6-1-8(19(22)23)5-9(2-6)20(24)25/h1-5H,(H,17,18,21)