5-nitro-N1,N3-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide

Systemtic Name: 5-nitro-N1,N3-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide Openeye Name: 5-nitro-N1,N3-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide CAS Name: 5-nitro-N1,N3-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide IUPAC Name: 5-nitro-1-N,3-N-bis(1,2,4-triazol-4-yl)benzene-1,3-dicarboxamide Traditional Name: 5-nitro-N,N'-bis(1,2,4-triazol-4-yl)isophthalamide Formula: C12H9N9O4 MolecularWeight: 343.25776

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)NN2C=NN=C2)[N+](=O)[O-])C(=O)NN3C=NN=C3

Isomeric SMILES

C1=C(C=C(C=C1C(=O)NN2C=NN=C2)[N+](=O)[O-])C(=O)NN3C=NN=C3

InChI

InChI=1S/C12H9N9O4/c22-11(17-19-4-13-14-5-19)8-1-9(3-10(2-8)21(24)25)12(23)18-20-6-15-16-7-20/h1-7H,(H,17,22)(H,18,23)