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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)NC2=NC=NN2)[N+](=O)[O-])C(=O)NC3=NC=NN3

Isomeric SMILES

C1=C(C=C(C=C1C(=O)NC2=NC=NN2)[N+](=O)[O-])C(=O)NC3=NC=NN3

InChI

InChI=1S/C12H9N9O4/c22-9(17-11-13-4-15-19-11)6-1-7(3-8(2-6)21(24)25)10(23)18-12-14-5-16-20-12/h1-5H,(H2,13,15,17,19,22)(H2,14,16,18,20,23)