N1,N3-bis[4-(N,N'-dimethylcarbamimidoyl)phenyl]-5-nitro-benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis[4-(N,N'-dimethylcarbamimidoyl)phenyl]-5-nitro-benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[4-(N,N'-dimethylcarbamimidoyl)phenyl]-5-nitro-benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[4-[methylamino(methylimino)methyl]phenyl]-5-nitrobenzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[4-(N,N'-dimethylcarbamimidoyl)phenyl]-5-nitrobenzene-1,3-dicarboxamide Traditional Name: N,N'-bis[4-(N,N'-dimethylamidino)phenyl]-5-nitro-isophthalamide Formula: C26H27N7O4 MolecularWeight: 501.53708

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=NC)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(=NC)NC

Isomeric SMILES

CNC(=NC)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(=NC)NC

InChI

InChI=1S/C26H27N7O4/c1-27-23(28-2)16-5-9-20(10-6-16)31-25(34)18-13-19(15-22(14-18)33(36)37)26(35)32-21-11-7-17(8-12-21)24(29-3)30-4/h5-15H,1-4H3,(H,27,28)(H,29,30)(H,31,34)(H,32,35)