N1,N4-bis(6-nitro-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis(6-nitro-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis(6-nitro-1,3-benzothiazol-2-yl)terephthalamide CAS Name: N1,N4-bis(6-nitro-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis(6-nitro-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide Traditional Name: N,N'-bis(6-nitro-1,3-benzothiazol-2-yl)terephthalamide Formula: C22H12N6O6S2 MolecularWeight: 520.49728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H12N6O6S2/c29-19(25-21-23-15-7-5-13(27(31)32)9-17(15)35-21)11-1-2-12(4-3-11)20(30)26-22-24-16-8-6-14(28(33)34)10-18(16)36-22/h1-10H,(H,23,25,29)(H,24,26,30)