N1,N3-bis(6-nitro-1,3-benzothiazol-2-yl)benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis(6-nitro-1,3-benzothiazol-2-yl)benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis(6-nitro-1,3-benzothiazol-2-yl)benzene-1,3-dicarboxamide CAS Name: N1,N3-bis(6-nitro-1,3-benzothiazol-2-yl)benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(6-nitro-1,3-benzothiazol-2-yl)benzene-1,3-dicarboxamide Traditional Name: N,N'-bis(6-nitro-1,3-benzothiazol-2-yl)isophthalamide Formula: C22H12N6O6S2 MolecularWeight: 520.49728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=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(=C1)C(=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(25-21-23-15-6-4-13(27(31)32)9-17(15)35-21)11-2-1-3-12(8-11)20(30)26-22-24-16-7-5-14(28(33)34)10-18(16)36-22/h1-10H,(H,23,25,29)(H,24,26,30)