N1,N4-bis[4-(N,N'-dimethylcarbamimidoyl)phenyl]-2-nitro-benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[4-(N,N'-dimethylcarbamimidoyl)phenyl]-2-nitro-benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[4-(N,N'-dimethylcarbamimidoyl)phenyl]-2-nitro-terephthalamide CAS Name: N1,N4-bis[4-[methylamino(methylimino)methyl]phenyl]-2-nitrobenzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[4-(N,N'-dimethylcarbamimidoyl)phenyl]-2-nitrobenzene-1,4-dicarboxamide Traditional Name: N,N'-bis[4-(N,N'-dimethylamidino)phenyl]-2-nitro-terephthalamide 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(=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NC)NC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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